N-{2-[(1,3-benzothiazol-2-yl)sulfanyl]ethyl}-2-[benzyl(4-methylbenzene-1-sulfonyl)amino]benzamide
Chemical Structure Depiction of
N-{2-[(1,3-benzothiazol-2-yl)sulfanyl]ethyl}-2-[benzyl(4-methylbenzene-1-sulfonyl)amino]benzamide
N-{2-[(1,3-benzothiazol-2-yl)sulfanyl]ethyl}-2-[benzyl(4-methylbenzene-1-sulfonyl)amino]benzamide
Compound characteristics
| Compound ID: | 8008-5070 |
| Compound Name: | N-{2-[(1,3-benzothiazol-2-yl)sulfanyl]ethyl}-2-[benzyl(4-methylbenzene-1-sulfonyl)amino]benzamide |
| Molecular Weight: | 573.75 |
| Molecular Formula: | C30 H27 N3 O3 S3 |
| Smiles: | Cc1ccc(cc1)S(N(Cc1ccccc1)c1ccccc1C(NCCSc1nc2ccccc2s1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.8729 |
| logD: | 6.8729 |
| logSw: | -5.7395 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.828 |
| InChI Key: | XNRVLGYAXJWREV-UHFFFAOYSA-N |