1-ethyl-N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-4-nitro-1H-pyrazole-5-carboxamide
Chemical Structure Depiction of
1-ethyl-N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-4-nitro-1H-pyrazole-5-carboxamide
1-ethyl-N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-4-nitro-1H-pyrazole-5-carboxamide
Compound characteristics
| Compound ID: | Y501-3084 |
| Compound Name: | 1-ethyl-N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-4-nitro-1H-pyrazole-5-carboxamide |
| Molecular Weight: | 395.41 |
| Molecular Formula: | C14 H13 N5 O5 S2 |
| Smiles: | CCn1c(C(Nc2nc3ccc(cc3s2)S(C)(=O)=O)=O)c(cn1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.4598 |
| logD: | 0.7752 |
| logSw: | -2.5202 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 108.875 |
| InChI Key: | QVFJUNASFAPMFX-UHFFFAOYSA-N |