[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-[(7S)-5-[(4-methoxyphenyl)methyl]-6-oxo-7H-benzo[d][1]benzazepin-7-yl]carbamate
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
COc1ccc(CN2C(=O)[C@@H](NC(=O)O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)c3ccccc3-c3ccccc32)cc1- InChIKey
IDKCDWYJGGDAKW-IYELWZHHSA-N- Molecular formula
- C33H38N2O4
- Average molar mass
- 526.7 g/mol
Names & identifiers
- Preferred name
- [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-[(7S)-5-[(4-methoxyphenyl)methyl]-6-oxo-7H-benzo[d][1]benzazepin-7-yl]carbamate
- IUPAC
- [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-[(7S)-5-[(4-methoxyphenyl)methyl]-6-oxo-7H-benzo[d][1]benzazepin-7-yl]carbamate
Names & synonyms
1197209-32-7IDKCDWYJGGDAKW-IYELWZHHSA-NCarbamic acid, N-[(7S)-6,7-dihydro-5-[(4-methoxyphenyl)methyl]-6-oxo-5H-dibenz[b,d]azepin-7-yl]-, (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester[(S)-5-(4-methoxy-benzyl)-6-oxo-6,7-dihydro-5H-dibenzo[b,d]azepin-7-yl]-carbamic acid (1R,2S,5R) -2-isopropyl-5-methyl-cyclohexyl ester[(S)-5-(4-methoxy-benzyl)-6-oxo-6,7-dihydro-5H-dibenzo[b,d]azepin-7-yl]-carbamic acid (1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl ester
Database identifiers
- PubChem CID
- 44516082
- Nikkaji
- J2.767.102K
Properties
Computed structural propertiesFilling in
- XLogP
- 7.4
- Topological polar surface area
- 67.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 825
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Related reactions
2 records
Compound notes
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