N-[(3,4-dimethylphenyl)methyl]-2-({6-[(ethanesulfonyl)amino]-1,3-benzothiazol-2-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-[(3,4-dimethylphenyl)methyl]-2-({6-[(ethanesulfonyl)amino]-1,3-benzothiazol-2-yl}sulfanyl)acetamide
N-[(3,4-dimethylphenyl)methyl]-2-({6-[(ethanesulfonyl)amino]-1,3-benzothiazol-2-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | M070-1678 |
| Compound Name: | N-[(3,4-dimethylphenyl)methyl]-2-({6-[(ethanesulfonyl)amino]-1,3-benzothiazol-2-yl}sulfanyl)acetamide |
| Molecular Weight: | 449.61 |
| Molecular Formula: | C20 H23 N3 O3 S3 |
| Smiles: | CCS(Nc1ccc2c(c1)sc(n2)SCC(NCc1ccc(C)c(C)c1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6588 |
| logD: | 4.6449 |
| logSw: | -4.4087 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.068 |
| InChI Key: | ADIVMFTZPNVWJM-UHFFFAOYSA-N |