N-[3-(azepan-1-yl)propyl]-2-[(4-chlorophenyl)sulfanyl]quinoline-4-carboxamide
Chemical Structure Depiction of
N-[3-(azepan-1-yl)propyl]-2-[(4-chlorophenyl)sulfanyl]quinoline-4-carboxamide
N-[3-(azepan-1-yl)propyl]-2-[(4-chlorophenyl)sulfanyl]quinoline-4-carboxamide
Compound characteristics
| Compound ID: | K784-7247 |
| Compound Name: | N-[3-(azepan-1-yl)propyl]-2-[(4-chlorophenyl)sulfanyl]quinoline-4-carboxamide |
| Molecular Weight: | 454.03 |
| Molecular Formula: | C25 H28 Cl N3 O S |
| Smiles: | C1CCCN(CC1)CCCNC(c1cc(nc2ccccc12)Sc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 6.2619 |
| logD: | 3.6912 |
| logSw: | -6.2712 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.227 |
| InChI Key: | OLUHKKGPALPFML-UHFFFAOYSA-N |