2-chloro-N-{[4-(methylsulfanyl)phenyl]methyl}-5-(thiomorpholine-4-sulfonyl)benzamide
Chemical Structure Depiction of
2-chloro-N-{[4-(methylsulfanyl)phenyl]methyl}-5-(thiomorpholine-4-sulfonyl)benzamide
2-chloro-N-{[4-(methylsulfanyl)phenyl]methyl}-5-(thiomorpholine-4-sulfonyl)benzamide
Compound characteristics
| Compound ID: | L586-1491 |
| Compound Name: | 2-chloro-N-{[4-(methylsulfanyl)phenyl]methyl}-5-(thiomorpholine-4-sulfonyl)benzamide |
| Molecular Weight: | 457.03 |
| Molecular Formula: | C19 H21 Cl N2 O3 S3 |
| Smiles: | CSc1ccc(CNC(c2cc(ccc2[Cl])S(N2CCSCC2)(=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.1736 |
| logD: | 4.1728 |
| logSw: | -4.4944 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.363 |
| InChI Key: | XPXOEBYTOXRCNE-UHFFFAOYSA-N |