4-bromo-1-ethyl-N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-1H-pyrazole-5-carboxamide
Chemical Structure Depiction of
4-bromo-1-ethyl-N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-1H-pyrazole-5-carboxamide
4-bromo-1-ethyl-N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-1H-pyrazole-5-carboxamide
Compound characteristics
| Compound ID: | Y501-1182 |
| Compound Name: | 4-bromo-1-ethyl-N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-1H-pyrazole-5-carboxamide |
| Molecular Weight: | 429.31 |
| Molecular Formula: | C14 H13 Br N4 O3 S2 |
| Smiles: | CCn1c(C(Nc2nc3ccc(cc3s2)S(C)(=O)=O)=O)c(cn1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 2.2036 |
| logD: | 2.1549 |
| logSw: | -2.9155 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.794 |
| InChI Key: | VDRNIKCIFDIFBE-UHFFFAOYSA-N |