(4-chloro-2,5-difluorophenyl)[4-(8,9-dimethoxy-5-sulfanylidene-5,6-dihydro[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]methanone
Chemical Structure Depiction of
(4-chloro-2,5-difluorophenyl)[4-(8,9-dimethoxy-5-sulfanylidene-5,6-dihydro[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]methanone
(4-chloro-2,5-difluorophenyl)[4-(8,9-dimethoxy-5-sulfanylidene-5,6-dihydro[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]methanone
Compound characteristics
| Compound ID: | C445-0014 |
| Compound Name: | (4-chloro-2,5-difluorophenyl)[4-(8,9-dimethoxy-5-sulfanylidene-5,6-dihydro[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]methanone |
| Molecular Weight: | 519.96 |
| Molecular Formula: | C23 H20 Cl F2 N5 O3 S |
| Smiles: | COc1cc2c(cc1OC)NC(n1c2nc(C2CCN(CC2)C(c2cc(c(cc2F)[Cl])F)=O)n1)=S |
| Stereo: | ACHIRAL |
| logP: | 4.072 |
| logD: | 3.9756 |
| logSw: | -4.3617 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.055 |
| InChI Key: | KDCFHZRUGRFWDN-UHFFFAOYSA-N |