4-bromo-1-ethyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1H-pyrazole-5-carboxamide
Chemical Structure Depiction of
4-bromo-1-ethyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1H-pyrazole-5-carboxamide
4-bromo-1-ethyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1H-pyrazole-5-carboxamide
Compound characteristics
| Compound ID: | Y500-6946 |
| Compound Name: | 4-bromo-1-ethyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1H-pyrazole-5-carboxamide |
| Molecular Weight: | 441.35 |
| Molecular Formula: | C20 H17 Br N4 O S |
| Smiles: | CCn1c(C(Nc2ccc(cc2)c2nc3ccc(C)cc3s2)=O)c(cn1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 5.0617 |
| logD: | 5.0614 |
| logSw: | -4.5008 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.733 |
| InChI Key: | QTJFLILKRMXFQY-UHFFFAOYSA-N |