5-Hexanoyl-9,9-dimethyl-6-(2-propoxyphenyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
Basic information
- CAS
438476-37-0- Standard SMILES
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)C1c1ccccc1OCCC- InChIKey
BXNPJEYMJGMKCE-UHFFFAOYSA-N- Molecular formula
- C30H38N2O3
- Average molar mass
- 474.6 g/mol
- Monoisotopic mass
- 474.28824308
Names & identifiers
- Preferred name
- 5-Hexanoyl-9,9-dimethyl-6-(2-propoxyphenyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
- IUPAC
- 5-hexanoyl-9,9-dimethyl-6-(2-propoxyphenyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
- English name
- 10-hexanoyl-3,3-dimethyl-11-(2-propoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
- Molecular formula
- C30H38N2O3
- Molecular weight
- 474.63432
Names & synonyms
675152-40-65-hexanoyl-9,9-dimethyl-6-(2-propoxyphenyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one1-[1-hydroxy-3,3-dimethyl-11-(2-propoxyphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]hexan-1-one10-hexanoyl-3,3-dimethyl-11-(2-propoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-oneAK-968/14004815STK081333STK977175AKOS002313017AKOS003794737AKOS0163209921-(1-hydroxy-3,3-dimethyl-11-(2-propoxyphenyl)-3,4-dihydro-2H-dibenzo[b,e][1,4]diazepin-10(11H)-yl)hexan-1-one
Database identifiers
- CAS
438476-37-0- PubChem CID
- 3563241
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 788
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