N-(4-{2-[3-(methylsulfanyl)anilino]-2-oxoethyl}phenyl)-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxamide
Chemical Structure Depiction of
N-(4-{2-[3-(methylsulfanyl)anilino]-2-oxoethyl}phenyl)-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxamide
N-(4-{2-[3-(methylsulfanyl)anilino]-2-oxoethyl}phenyl)-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxamide
Compound characteristics
| Compound ID: | G217-1083 |
| Compound Name: | N-(4-{2-[3-(methylsulfanyl)anilino]-2-oxoethyl}phenyl)-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxamide |
| Molecular Weight: | 445.58 |
| Molecular Formula: | C26 H27 N3 O2 S |
| Smiles: | CSc1cccc(c1)NC(Cc1ccc(cc1)NC(N1CCCCc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5464 |
| logD: | 5.5464 |
| logSw: | -5.2573 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 47.581 |
| InChI Key: | ZXLOZUIJAZCOMZ-UHFFFAOYSA-N |