N-[4-(2-{[3-(butylsulfanyl)propyl]amino}-2-oxoethyl)phenyl]-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxamide
Chemical Structure Depiction of
N-[4-(2-{[3-(butylsulfanyl)propyl]amino}-2-oxoethyl)phenyl]-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxamide
N-[4-(2-{[3-(butylsulfanyl)propyl]amino}-2-oxoethyl)phenyl]-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxamide
Compound characteristics
| Compound ID: | G217-1177 |
| Compound Name: | N-[4-(2-{[3-(butylsulfanyl)propyl]amino}-2-oxoethyl)phenyl]-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxamide |
| Molecular Weight: | 453.65 |
| Molecular Formula: | C26 H35 N3 O2 S |
| Smiles: | CCCCSCCCNC(Cc1ccc(cc1)NC(N1CCCCc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0549 |
| logD: | 5.0549 |
| logSw: | -4.4502 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 49.016 |
| InChI Key: | DOKMYGNYQCYHFF-UHFFFAOYSA-N |