Basic information
- Standard SMILES
COC(=O)C1=Cc2cc(OC)ccc2-c2c(C3CCCCC3)c3ccc(C(=O)NS(=O)(=O)C4CC4)cc3n2C1- InChIKey
DCAOPFUTQRPKDH-UHFFFAOYSA-N- Molecular formula
- C30H32N2O6S
- Average molar mass
- 548.7 g/mol
Names & identifiers
- Preferred name
- methyl 13-cyclohexyl-10-((cyclopropylsulfonyl)carbamoyl)-3-methoxy-7H-indolo [2,1-a][2]benzazepine-6-carboxylate
- IUPAC
- methyl 13-cyclohexyl-10-(cyclopropylsulfonylcarbamoyl)-3-methoxy-7H-indolo[2,1-a][2]benzazepine-6-carboxylate
Names & synonyms
SCHEMBL51250DCAOPFUTQRPKDH-UHFFFAOYSA-Nmethyl 13-cyclohexyl-10-((cyclopropylsulfonyl)carbamoyl)-3-methoxy-7H-indolo [2,1-a][2]benzazepine-6-carboxylatemethyl 13-cyclohexyl-10-((cyclopropylsulfonyl)carbamoyl)-3-methoxy-7H-indolo[2,1-a][2]benzazepine-6-carboxylate
Database identifiers
- PubChem CID
- 57559080
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 1,080
Related reactions
16 records
Compound notes
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