N-[4-({2-[4-(methylsulfanyl)phenyl]ethyl}carbamoyl)phenyl]-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxamide
Chemical Structure Depiction of
N-[4-({2-[4-(methylsulfanyl)phenyl]ethyl}carbamoyl)phenyl]-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxamide
N-[4-({2-[4-(methylsulfanyl)phenyl]ethyl}carbamoyl)phenyl]-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxamide
Compound characteristics
| Compound ID: | G217-0194 |
| Compound Name: | N-[4-({2-[4-(methylsulfanyl)phenyl]ethyl}carbamoyl)phenyl]-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxamide |
| Molecular Weight: | 459.61 |
| Molecular Formula: | C27 H29 N3 O2 S |
| Smiles: | CSc1ccc(CCNC(c2ccc(cc2)NC(N2CCCCc3ccccc23)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.5154 |
| logD: | 5.5153 |
| logSw: | -5.3373 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 48.958 |
| InChI Key: | BOAKMROZMRAZFY-UHFFFAOYSA-N |