N-(2H-1,3-benzodioxol-5-yl)-2-{[8-chloro-4-(2-methylpropyl)-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-{[8-chloro-4-(2-methylpropyl)-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-{[8-chloro-4-(2-methylpropyl)-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | F367-0813 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-{[8-chloro-4-(2-methylpropyl)-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}acetamide |
| Molecular Weight: | 485.95 |
| Molecular Formula: | C22 H20 Cl N5 O4 S |
| Smiles: | CC(C)CN1C(c2ccc(cc2n2c1nnc2SCC(Nc1ccc2c(c1)OCO2)=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.1681 |
| logD: | 4.168 |
| logSw: | -4.4563 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.848 |
| InChI Key: | QQGICDDJVKDDQZ-UHFFFAOYSA-N |