3-(2-methyl-1,3-benzothiazole-6-sulfonyl)-N-[(4-methylphenyl)methyl]propanamide
Chemical Structure Depiction of
3-(2-methyl-1,3-benzothiazole-6-sulfonyl)-N-[(4-methylphenyl)methyl]propanamide
3-(2-methyl-1,3-benzothiazole-6-sulfonyl)-N-[(4-methylphenyl)methyl]propanamide
Compound characteristics
| Compound ID: | K906-4173 |
| Compound Name: | 3-(2-methyl-1,3-benzothiazole-6-sulfonyl)-N-[(4-methylphenyl)methyl]propanamide |
| Molecular Weight: | 388.51 |
| Molecular Formula: | C19 H20 N2 O3 S2 |
| Smiles: | Cc1ccc(CNC(CCS(c2ccc3c(c2)sc(C)n3)(=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.9314 |
| logD: | 2.9314 |
| logSw: | -3.4473 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.001 |
| InChI Key: | OORYHLUBJDJERQ-UHFFFAOYSA-N |