tert-Butyl 3-Bromo-8,9-dihydro-5H-imidazo[1,2-d][1,4]diazepine-7(6H)-carboxylate - CAS 1330765-01-9
Catalog: |
BB072580 |
Product Name: |
tert-Butyl 3-Bromo-8,9-dihydro-5H-imidazo[1,2-d][1,4]diazepine-7(6H)-carboxylate |
CAS: |
1330765-01-9 |
Synonyms: |
tert-Butyl 3-bromo-8,9-dihydro-5H-imidazo[1,2-d][1,4]diazepine-7(6H)-carboxylate; tert-butyl 3-bromo-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-7-carboxylate; tert-Butyl3-bromo-8,9-dihydro-5H-imidazo[1,2-d][1,4]diazepine-7(6H)-carboxylate |
IUPAC Name: | tert-butyl 3-bromo-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-7-carboxylate |
Molecular Weight: | 316.19 |
Molecular Formula: | C12H18N3O2Br |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCC2=NC=C(N2CC1)Br |
InChI: | InChI=1S/C12H18BrN3O2/c1-12(2,3)18-11(17)15-5-4-10-14-8-9(13)16(10)7-6-15/h8H,4-7H2,1-3H3 |
InChI Key: | VPOJINOXLDKIJR-UHFFFAOYSA-N |
Complexity: | 319 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 315.05824 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 315.05824 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 47.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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