11-chloro-N-{1-[(4-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazoline-10-carboxamide
Chemical Structure Depiction of
11-chloro-N-{1-[(4-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazoline-10-carboxamide
11-chloro-N-{1-[(4-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazoline-10-carboxamide
Compound characteristics
| Compound ID: | Y500-5982 |
| Compound Name: | 11-chloro-N-{1-[(4-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazoline-10-carboxamide |
| Molecular Weight: | 585.42 |
| Molecular Formula: | C28 H21 Cl2 F3 N6 O |
| Smiles: | Cc1c(c(C)n(Cc2ccc(cc2)[Cl])n1)NC(c1c(c2N=C3C(CCc4ccccc34)=C(C(F)(F)F)n2n1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.7109 |
| logD: | 5.7026 |
| logSw: | -5.8524 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.452 |
| InChI Key: | DFYCVPKMHRRXRE-UHFFFAOYSA-N |