(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-carboxylic Acid - CAS 2161304-01-2
Catalog: |
BB017008 |
Product Name: |
(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-carboxylic Acid |
CAS: |
2161304-01-2 |
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; 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 |
IUPAC Name: | 4-chloro-14-methyl-8,12-dioxa-1,3,5-triazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene-6-carboxylic acid |
Description: | (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-carboxylic Acid (CAS# 2161304-01-2 ) is a useful research chemical. |
Molecular Weight: | 285.68 |
Molecular Formula: | C11H12ClN3O4 |
Canonical SMILES: | CC1COCC2N1C3=NC(=NC(=C3OC2)C(=O)O)Cl |
InChI: | InChI=1S/C11H12ClN3O4/c1-5-2-18-3-6-4-19-8-7(10(16)17)13-11(12)14-9(8)15(5)6/h5-6H,2-4H2,1H3,(H,16,17) |
InChI Key: | OWXFEDMNXOBBOW-UHFFFAOYSA-N |
LogP: | 0.87930 |
Publication Number | Title | Priority Date |
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: | 372 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 285.0516336 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 285.0516336 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 84.8 |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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