N-(2-bromo-4-methylphenyl)-1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
Chemical Structure Depiction of
N-(2-bromo-4-methylphenyl)-1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
N-(2-bromo-4-methylphenyl)-1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | E146-1426 |
| Compound Name: | N-(2-bromo-4-methylphenyl)-1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide |
| Molecular Weight: | 414.32 |
| Molecular Formula: | C19 H16 Br N3 O S |
| Smiles: | Cc1ccc(c(c1)[Br])NC(c1c2CSc3ccccc3c2n(C)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3493 |
| logD: | 4.349 |
| logSw: | -4.3772 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.955 |
| InChI Key: | IGOHOCIETBUZAL-UHFFFAOYSA-N |