Basic information
- CAS
312621-14-0- Standard SMILES
CCN(CC)c1ccc(C2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)Cc2ccccc2)cc1- InChIKey
JMJUELIXBYXLOR-UHFFFAOYSA-N- Molecular formula
- C33H37N3O2
- Average molar mass
- 507.7 g/mol
- Monoisotopic mass
- 507.28857743
Names & identifiers
- Preferred name
- 6-[4-(Diethylamino)phenyl]-9,9-dimethyl-5-(2-phenylacetyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
- IUPAC
- 6-[4-(diethylamino)phenyl]-9,9-dimethyl-5-(2-phenylacetyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
- English name
- 11-[4-(diethylamino)phenyl]-3,3-dimethyl-10-(phenylacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
- Molecular formula
- C33H37N3O2
- Molecular weight
- 507.67
Names & synonyms
11-[4-(diethylamino)phenyl]-3,3-dimethyl-10-(phenylacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one6-[4-(diethylamino)phenyl]-9,9-dimethyl-5-(2-phenylacetyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-oneOprea1_213082STK041396AKOS001631336AKOS021989805312621-14-0ST005487EU-0004962AK-968/11197155SR-01000433047SR-01000433047-1
Show more names
1H-Dibenzo[b,e][1,4]diazepin-1-one, 11-[4-(diethylamino)phenyl]-2,3,4,5,10,11-hexahydro-3,3-dimethyl-10-(2-phenylacetyl)-
11-(4-(diethylamino)phenyl)-3,3-dimethyl-10-(2-phenylacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one11-[4-(diethylamino)phenyl]-3,3-dimethyl-10-(2-phenylacetyl)-2,3,4-trihydro-5H ,11H-benzo[b]benzo[2,1-f]1,4-diazepin-1-one
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 52.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 877
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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