11-chloro-N-{3,5-dimethyl-1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazoline-10-carboxamide
Chemical Structure Depiction of
11-chloro-N-{3,5-dimethyl-1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazoline-10-carboxamide
11-chloro-N-{3,5-dimethyl-1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazoline-10-carboxamide
Compound characteristics
| Compound ID: | Y500-5980 |
| Compound Name: | 11-chloro-N-{3,5-dimethyl-1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazoline-10-carboxamide |
| Molecular Weight: | 565 |
| Molecular Formula: | C29 H24 Cl F3 N6 O |
| Smiles: | Cc1ccc(Cn2c(C)c(c(C)n2)NC(c2c(c3N=C4C(CCc5ccccc45)=C(C(F)(F)F)n3n2)[Cl])=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.5395 |
| logD: | 5.5312 |
| logSw: | -5.7656 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.452 |
| InChI Key: | BEXJXIWMZDVJGA-UHFFFAOYSA-N |