N-{3-bromo-1-[(4-chlorophenyl)methyl]-1H-pyrazol-4-yl}-11-chloro-7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazoline-10-carboxamide
Chemical Structure Depiction of
N-{3-bromo-1-[(4-chlorophenyl)methyl]-1H-pyrazol-4-yl}-11-chloro-7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazoline-10-carboxamide
N-{3-bromo-1-[(4-chlorophenyl)methyl]-1H-pyrazol-4-yl}-11-chloro-7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazoline-10-carboxamide
Compound characteristics
| Compound ID: | Y500-5984 |
| Compound Name: | N-{3-bromo-1-[(4-chlorophenyl)methyl]-1H-pyrazol-4-yl}-11-chloro-7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazoline-10-carboxamide |
| Molecular Weight: | 636.26 |
| Molecular Formula: | C26 H16 Br Cl2 F3 N6 O |
| Smiles: | C1Cc2ccccc2C2C1=C(C(F)(F)F)n1c(c(c(C(Nc3cn(Cc4ccc(cc4)[Cl])nc3[Br])=O)n1)[Cl])N=2 |
| Stereo: | ACHIRAL |
| logP: | 6.6162 |
| logD: | 6.469 |
| logSw: | -6.486 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.27 |
| InChI Key: | DEFUMDJRPOBKDN-UHFFFAOYSA-N |