N-{4-[2-({2-[4-(methylsulfanyl)phenyl]ethyl}amino)-2-oxoethyl]phenyl}-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxamide
Chemical Structure Depiction of
N-{4-[2-({2-[4-(methylsulfanyl)phenyl]ethyl}amino)-2-oxoethyl]phenyl}-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxamide
N-{4-[2-({2-[4-(methylsulfanyl)phenyl]ethyl}amino)-2-oxoethyl]phenyl}-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxamide
Compound characteristics
| Compound ID: | G217-1183 |
| Compound Name: | N-{4-[2-({2-[4-(methylsulfanyl)phenyl]ethyl}amino)-2-oxoethyl]phenyl}-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxamide |
| Molecular Weight: | 473.64 |
| Molecular Formula: | C28 H31 N3 O2 S |
| Smiles: | CSc1ccc(CCNC(Cc2ccc(cc2)NC(N2CCCCc3ccccc23)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.2419 |
| logD: | 5.2419 |
| logSw: | -5.0039 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 48.744 |
| InChI Key: | QHHBLCHSKZGYJU-UHFFFAOYSA-N |