N-(6-{[3-(methylsulfanyl)phenyl]carbamamido}-1,3-benzothiazol-2-yl)benzenesulfonamide
Chemical Structure Depiction of
N-(6-{[3-(methylsulfanyl)phenyl]carbamamido}-1,3-benzothiazol-2-yl)benzenesulfonamide
N-(6-{[3-(methylsulfanyl)phenyl]carbamamido}-1,3-benzothiazol-2-yl)benzenesulfonamide
Compound characteristics
| Compound ID: | L366-0556 |
| Compound Name: | N-(6-{[3-(methylsulfanyl)phenyl]carbamamido}-1,3-benzothiazol-2-yl)benzenesulfonamide |
| Molecular Weight: | 470.59 |
| Molecular Formula: | C21 H18 N4 O3 S3 |
| Smiles: | [H]c1cc(cc2c1nc(NS(c1ccccc1)(=O)=O)s2)NC(Nc1cccc(c1)SC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4636 |
| logD: | 5.0626 |
| logSw: | -5.4702 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 82.952 |
| InChI Key: | XMRRPJZXNIPNCL-UHFFFAOYSA-N |