11-(3-iodophenyl)-3,3-dimethyl-10-(phenylacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Basic information
- CAS
374608-86-3- Standard SMILES
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)Cc1ccccc1)C2c1cccc(I)c1- InChIKey
VJOVNQYQNOQWFB-UHFFFAOYSA-N- Molecular formula
- C29H27IN2O2
- Average molar mass
- 562.4 g/mol
Names & identifiers
- Preferred name
- 11-(3-iodophenyl)-3,3-dimethyl-10-(phenylacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
- IUPAC
- 6-(3-iodophenyl)-9,9-dimethyl-5-(2-phenylacetyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
- English name
- 11-(3-iodophenyl)-3,3-dimethyl-10-(phenylacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
- Molecular formula
- C29H27IN2O2
- Molecular weight
- 562.44135
Names & synonyms
11-(3-iodophenyl)-3,3-dimethyl-10-(phenylacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one374608-86-3STL482227AKOS0036542086-(3-iodophenyl)-9,9-dimethyl-5-(2-phenylacetyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-oneAK-968/12384259
Database identifiers
- CAS
374608-86-3
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 49.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 815
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…