N-[4-({[4-(methylsulfanyl)phenyl]methyl}carbamoyl)phenyl]-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxamide
Chemical Structure Depiction of
N-[4-({[4-(methylsulfanyl)phenyl]methyl}carbamoyl)phenyl]-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxamide
N-[4-({[4-(methylsulfanyl)phenyl]methyl}carbamoyl)phenyl]-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxamide
Compound characteristics
| Compound ID: | G217-0267 |
| Compound Name: | N-[4-({[4-(methylsulfanyl)phenyl]methyl}carbamoyl)phenyl]-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxamide |
| Molecular Weight: | 445.58 |
| Molecular Formula: | C26 H27 N3 O2 S |
| Smiles: | CSc1ccc(CNC(c2ccc(cc2)NC(N2CCCCc3ccccc23)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.5818 |
| logD: | 5.5818 |
| logSw: | -5.3714 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 49.116 |
| InChI Key: | ZLSZFIBGBJGORI-UHFFFAOYSA-N |