N-(5-{[(4-methylphenyl)methyl]carbamamido}-1,3-benzothiazol-2-yl)benzenesulfonamide
Chemical Structure Depiction of
N-(5-{[(4-methylphenyl)methyl]carbamamido}-1,3-benzothiazol-2-yl)benzenesulfonamide
N-(5-{[(4-methylphenyl)methyl]carbamamido}-1,3-benzothiazol-2-yl)benzenesulfonamide
Compound characteristics
| Compound ID: | M004-0237 |
| Compound Name: | N-(5-{[(4-methylphenyl)methyl]carbamamido}-1,3-benzothiazol-2-yl)benzenesulfonamide |
| Molecular Weight: | 452.55 |
| Molecular Formula: | C22 H20 N4 O3 S2 |
| Smiles: | [H]c1cc2c(cc1NC(NCc1ccc(C)cc1)=O)nc(NS(c1ccccc1)(=O)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 4.7086 |
| logD: | 4.3076 |
| logSw: | -4.3907 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 84.274 |
| InChI Key: | NPTSDFLXKDNNIP-UHFFFAOYSA-N |