4-(azepane-1-sulfonyl)-N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]benzamide
Chemical Structure Depiction of
4-(azepane-1-sulfonyl)-N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]benzamide
4-(azepane-1-sulfonyl)-N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]benzamide
Compound characteristics
| Compound ID: | G786-0873 |
| Compound Name: | 4-(azepane-1-sulfonyl)-N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]benzamide |
| Molecular Weight: | 493.62 |
| Molecular Formula: | C21 H23 N3 O5 S3 |
| Smiles: | CS(c1ccc2c(c1)sc(NC(c1ccc(cc1)S(N1CCCCCC1)(=O)=O)=O)n2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1689 |
| logD: | 3.1522 |
| logSw: | -3.5572 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.882 |
| InChI Key: | QUUAJCSSNNRYLO-UHFFFAOYSA-N |