1-(3,4-dimethoxyphenyl)-2-{[2-(pyridin-4-yl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(3,4-dimethoxyphenyl)-2-{[2-(pyridin-4-yl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}ethan-1-one
1-(3,4-dimethoxyphenyl)-2-{[2-(pyridin-4-yl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | 8019-0573 |
| Compound Name: | 1-(3,4-dimethoxyphenyl)-2-{[2-(pyridin-4-yl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 457.51 |
| Molecular Formula: | C24 H19 N5 O3 S |
| Smiles: | COc1ccc(cc1OC)C(CSc1nc2ccccc2c2nc(c3ccncc3)nn12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8737 |
| logD: | 3.8727 |
| logSw: | -4.221 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.733 |
| InChI Key: | RTEMLBFGSQVLCW-UHFFFAOYSA-N |