N-[(3,4-dimethylphenyl)methyl]-2-({6-[(methanesulfonyl)amino]-1,3-benzothiazol-2-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-[(3,4-dimethylphenyl)methyl]-2-({6-[(methanesulfonyl)amino]-1,3-benzothiazol-2-yl}sulfanyl)acetamide
N-[(3,4-dimethylphenyl)methyl]-2-({6-[(methanesulfonyl)amino]-1,3-benzothiazol-2-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | M070-1557 |
| Compound Name: | N-[(3,4-dimethylphenyl)methyl]-2-({6-[(methanesulfonyl)amino]-1,3-benzothiazol-2-yl}sulfanyl)acetamide |
| Molecular Weight: | 435.58 |
| Molecular Formula: | C19 H21 N3 O3 S3 |
| Smiles: | Cc1ccc(CNC(CSc2nc3ccc(cc3s2)NS(C)(=O)=O)=O)cc1C |
| Stereo: | ACHIRAL |
| logP: | 3.9158 |
| logD: | 3.8817 |
| logSw: | -3.8599 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.387 |
| InChI Key: | RFJSRRVLDNWURH-UHFFFAOYSA-N |