N-benzyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-{[4-(methylsulfanyl)phenyl]carbamamido}benzamide
Chemical Structure Depiction of
N-benzyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-{[4-(methylsulfanyl)phenyl]carbamamido}benzamide
N-benzyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-{[4-(methylsulfanyl)phenyl]carbamamido}benzamide
Compound characteristics
| Compound ID: | V002-0348 |
| Compound Name: | N-benzyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-{[4-(methylsulfanyl)phenyl]carbamamido}benzamide |
| Molecular Weight: | 581.74 |
| Molecular Formula: | C33 H35 N5 O3 S |
| Salt: | not_available |
| Smiles: | COc1ccccc1N1CCN(CC1)c1ccc(cc1C(NCc1ccccc1)=O)NC(Nc1ccc(cc1)SC)=O |
| Stereo: | ACHIRAL |
| logP: | 7.0649 |
| logD: | 7.0648 |
| logSw: | -5.6625 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 70.696 |
| InChI Key: | BPJNRFBDYMECHK-UHFFFAOYSA-N |