Basic information
- Standard SMILES
CCOC(=O)C1=CN(C(=O)c2ccc(F)cc2)CC(C)(C)c2c1[nH]c1cc(OC(=O)N(C)C)ccc21- InChIKey
MHDYUXMQCYPGLO-UHFFFAOYSA-N- Molecular formula
- C27H28FN3O5
- Average molar mass
- 493.5 g/mol
Names & identifiers
- Preferred name
- 8-Dimethylcarbamoyloxy-3-(4-fluorobenzoyl)-1,1-dimethyl-1,2,3,6-tetrahydroazepino[4,5-B]indole-5-carboxylic acid ethyl ester
- IUPAC
- ethyl 8-(dimethylcarbamoyloxy)-3-(4-fluorobenzoyl)-1,1-dimethyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylate
Names & synonyms
SCHEMBL273844MHDYUXMQCYPGLO-UHFFFAOYSA-N8-DIMETHYLCARBAMOYLOXY-3-(4-FLUOROBENZOYL)-1,1-DIMETHYL-1,2,3,6-TETRAHYDROAZEPINO[4,5-B]INDOLE-5-CARBOXYLIC ACID ETHYL ESTER
Database identifiers
- PubChem CID
- 9983167
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 91.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 883
Related reactions
7 records
Compound notes
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