4-chloro-N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-3-nitrobenzamide
Chemical Structure Depiction of
4-chloro-N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-3-nitrobenzamide
4-chloro-N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-3-nitrobenzamide
Compound characteristics
| Compound ID: | Y032-1455 |
| Compound Name: | 4-chloro-N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-3-nitrobenzamide |
| Molecular Weight: | 411.84 |
| Molecular Formula: | C15 H10 Cl N3 O5 S2 |
| Smiles: | CS(c1ccc2c(c1)sc(NC(c1ccc(c(c1)[N+]([O-])=O)[Cl])=O)n2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7907 |
| logD: | 2.4003 |
| logSw: | -3.7902 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.921 |
| InChI Key: | ULCMPMYCEZEQRT-UHFFFAOYSA-N |