Methyl (6aS,10R)-2-Chloro-10-methyl-6a,7,9,10-tetrahydro-6H-[1,4]oxazino[4,3-d]pyrimido[5,4-b][1,4]oxazine-4-carboxylate - CAS 2161304-02-3
Catalog: |
BB017009 |
Product Name: |
Methyl (6aS,10R)-2-Chloro-10-methyl-6a,7,9,10-tetrahydro-6H-[1,4]oxazino[4,3-d]pyrimido[5,4-b][1,4]oxazine-4-carboxylate |
CAS: |
2161304-02-3 |
Synonyms: |
4-chloro-14-methyl-8,12-dioxa-1,3,5-triazatricyclo[8.4.0.0^{2,7}]tetradeca-2,4,6-triene-6-carboxylic acid methyl ester; methyl 4-chloro-14-methyl-8,12-dioxa-1,3,5-triazatricyclo[8.4.0.0^{2,7}]tetradeca-2,4,6-triene-6-carboxylate |
IUPAC Name: | methyl (10S,14R)-4-chloro-14-methyl-8,12-dioxa-1,3,5-triazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene-6-carboxylate |
Description: | Methyl (6aS,10R)-2-Chloro-10-methyl-6a,7,9,10-tetrahydro-6H-[1,4]oxazino[4,3-d]pyrimido[5,4-b][1,4]oxazine-4-carboxylate (CAS# 2161304-02-3 ) is a useful research chemical. |
Molecular Weight: | 299.71 |
Molecular Formula: | C12H14ClN3O4 |
Canonical SMILES: | CC1COCC2N1C3=NC(=NC(=C3OC2)C(=O)OC)Cl |
InChI: | InChI=1S/C12H14ClN3O4/c1-6-3-19-4-7-5-20-9-8(11(17)18-2)14-12(13)15-10(9)16(6)7/h6-7H,3-5H2,1-2H3 |
InChI Key: | WGWIJIDLWQHNQW-UHFFFAOYSA-N |
LogP: | 0.96770 |
Publication Number | Title | Priority Date |
EP-3464295-A1 | Tricyclic heterocylic derivatives | 20160524 |
EP-3464295-B1 | Tricyclic heterocylic derivatives | 20160524 |
US-10570149-B2 | Tricyclic heterocylic derivatives | 20160524 |
US-2019300547-A1 | Tricyclic heterocylic derivatives | 20160524 |
WO-2017202748-A1 | Tricyclic heterocylic derivatives | 20160524 |
Complexity: | 386 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 299.0672836 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 299.0672836 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 73.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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