3-[1-{[(3-methoxyphenyl)methyl]sulfanyl}-7-methyl-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]-N-(propan-2-yl)propanamide
Chemical Structure Depiction of
3-[1-{[(3-methoxyphenyl)methyl]sulfanyl}-7-methyl-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]-N-(propan-2-yl)propanamide
3-[1-{[(3-methoxyphenyl)methyl]sulfanyl}-7-methyl-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]-N-(propan-2-yl)propanamide
Compound characteristics
| Compound ID: | L942-0169 |
| Compound Name: | 3-[1-{[(3-methoxyphenyl)methyl]sulfanyl}-7-methyl-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]-N-(propan-2-yl)propanamide |
| Molecular Weight: | 465.57 |
| Molecular Formula: | C24 H27 N5 O3 S |
| Smiles: | CC(C)NC(CCN1C(c2cc(C)ccc2n2c1nnc2SCc1cccc(c1)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5364 |
| logD: | 3.5364 |
| logSw: | -3.8123 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.551 |
| InChI Key: | YSDWUZAHVBVSBH-UHFFFAOYSA-N |