N-{[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]carbamothioyl}-5-nitro-1-benzothiophene-2-carboxamide
Chemical Structure Depiction of
N-{[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]carbamothioyl}-5-nitro-1-benzothiophene-2-carboxamide
N-{[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]carbamothioyl}-5-nitro-1-benzothiophene-2-carboxamide
Compound characteristics
| Compound ID: | 3343-1448 |
| Compound Name: | N-{[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]carbamothioyl}-5-nitro-1-benzothiophene-2-carboxamide |
| Molecular Weight: | 492.57 |
| Molecular Formula: | C18 H12 N4 O5 S4 |
| Smiles: | CS(c1ccc2c(c1)sc(NC(NC(c1cc3cc(ccc3s1)[N+]([O-])=O)=O)=S)n2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2066 |
| logD: | 4.2065 |
| logSw: | -4.3659 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 106.878 |
| InChI Key: | RPVYGFDYAHSHFS-UHFFFAOYSA-N |