4-chloro-N-{[5-(4-nitrobenzene-1-sulfonyl)-1,3-thiazol-2-yl]carbamothioyl}benzamide
Chemical Structure Depiction of
4-chloro-N-{[5-(4-nitrobenzene-1-sulfonyl)-1,3-thiazol-2-yl]carbamothioyl}benzamide
4-chloro-N-{[5-(4-nitrobenzene-1-sulfonyl)-1,3-thiazol-2-yl]carbamothioyl}benzamide
Compound characteristics
| Compound ID: | 3339-4495 |
| Compound Name: | 4-chloro-N-{[5-(4-nitrobenzene-1-sulfonyl)-1,3-thiazol-2-yl]carbamothioyl}benzamide |
| Molecular Weight: | 482.94 |
| Molecular Formula: | C17 H11 Cl N4 O5 S3 |
| Smiles: | c1cc(ccc1C(NC(Nc1ncc(s1)S(c1ccc(cc1)[N+]([O-])=O)(=O)=O)=S)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.5204 |
| logD: | 4.5178 |
| logSw: | -4.8961 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 106.69 |
| InChI Key: | IGIIBFIMRHDXBP-UHFFFAOYSA-N |