4-{[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]carbamoyl}phenyl 1-methyl-1H-pyrazole-3-carboxylate
Chemical Structure Depiction of
4-{[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]carbamoyl}phenyl 1-methyl-1H-pyrazole-3-carboxylate
4-{[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]carbamoyl}phenyl 1-methyl-1H-pyrazole-3-carboxylate
Compound characteristics
| Compound ID: | 8016-8144 |
| Compound Name: | 4-{[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]carbamoyl}phenyl 1-methyl-1H-pyrazole-3-carboxylate |
| Molecular Weight: | 456.5 |
| Molecular Formula: | C20 H16 N4 O5 S2 |
| Smiles: | Cn1ccc(C(=O)Oc2ccc(cc2)C(Nc2nc3ccc(cc3s2)S(C)(=O)=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 1.9309 |
| logD: | 1.9283 |
| logSw: | -2.8695 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.91 |
| InChI Key: | JJWDFSBIIZWKLV-UHFFFAOYSA-N |