AC1N5DGQ
6-(1,3-benzodioxol-5-yl)-9,9-dimethyl-6,8,10,11-tetrahydro-5H-pyrido[3,2-b][1,4]benzodiazepin-7-one
Also Known As: MS-7195|2,10,12-triaza-9-benzo[d]1,3-dioxolan-5-yl-5,5-dimethyltricyclo[9.4.0.0<3,8>]pentadeca-1(15),3(8),11(12),13-tetraen-7-one|6-(1,3-benzodioxol-5-yl)-9,9-dimethyl-6,8,10,11-tetrahydro-5H-pyrido[3,2-b][1,4]benzodiazepin-7-one|10-(2H-1,3-benzodioxol-5-yl)-14,14-dimethyl-2,7,9-triazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7-tetraen-12-one|10-(Benzo[d][1,3]dioxol-5-yl)-7,7-dimethyl-5,6,7,8,10,11-hexahydro-9H-benzo[e]pyrido[2,3-b][1,4]diazepin-9-one
| Molecular Formula | C21H21N3O3 |
|---|---|
| Molecular Weight | 363.1583 g/mol |
| LogP | 4.0322 |
| Topological Polar Surface Area | 72.48 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 363.1583 |
| Monoisotopic Mass | 363.1583 |
| Heavy Atoms | 27 |
| Complexity | 980.38715 |
Chemical Identifiers
| CAS Number | 705268-90-2 |
|---|---|
| SMILES | CC1(CC2=C(C(NC3=C(N2)C=CC=N3)C4=CC5=C(C=C4)OCO5)C(=O)C1)C |
Product Overview
AC1N5DGQ (CAS 705268-90-2), with molecular formula C21H21N3O3 and molecular weight 363.1583 g/mol. IUPAC: 6-(1,3-benzodioxol-5-yl)-9,9-dimethyl-6,8,10,11-tetrahydro-5H-pyrido[3,2-b][1,4]benzodiazepin-7-one.
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