NSC186216
3-chloro-9,9-dimethyl-6-phenyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
Also Known As: 3-chloro-9,9-dimethyl-6-phenyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one|8-Chloro-3,3-dimethyl-11-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo(b,e)(1,4)diazepin-1-one|8-Chloro-3,3-dimethyl-11-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one|3-chloro-9,9-dimethyl-6-phenyl-6,8,10,11-tetrahydro-5H-benzo
| Molecular Formula | C21H21ClN2O |
|---|---|
| Molecular Weight | 352.13425 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 41.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 352.13425 |
| Monoisotopic Mass | 352.13425 |
| Heavy Atoms | 25 |
| Complexity | 564.0 |
Chemical Identifiers
| CAS Number | 39222-68-9 |
|---|---|
| SMILES | CC1(CC2=C(C(NC3=C(N2)C=CC(=C3)Cl)C4=CC=CC=C4)C(=O)C1)C |
| InChIKey | HPENASYRRYAWPO-UHFFFAOYSA-N |
Product Overview
NSC186216 (CAS 39222-68-9), with molecular formula C21H21ClN2O and molecular weight 352.13425 g/mol. IUPAC: 3-chloro-9,9-dimethyl-6-phenyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one.
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