1-(4-chlorophenyl)-2-{[2-(pyridin-3-yl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(4-chlorophenyl)-2-{[2-(pyridin-3-yl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}ethan-1-one
1-(4-chlorophenyl)-2-{[2-(pyridin-3-yl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | D718-1072 |
| Compound Name: | 1-(4-chlorophenyl)-2-{[2-(pyridin-3-yl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 431.9 |
| Molecular Formula: | C22 H14 Cl N5 O S |
| Smiles: | C(C(c1ccc(cc1)[Cl])=O)Sc1nc2ccccc2c2nc(c3cccnc3)nn12 |
| Stereo: | ACHIRAL |
| logP: | 4.3775 |
| logD: | 4.1454 |
| logSw: | -4.7479 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.562 |
| InChI Key: | IAQRGJGGHGKHBF-UHFFFAOYSA-N |