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 |