2-{[8-chloro-4-(2-methylpropyl)-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}-N-(3-methylphenyl)acetamide
Chemical Structure Depiction of
2-{[8-chloro-4-(2-methylpropyl)-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}-N-(3-methylphenyl)acetamide
2-{[8-chloro-4-(2-methylpropyl)-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}-N-(3-methylphenyl)acetamide
Compound characteristics
| Compound ID: | F367-0800 |
| Compound Name: | 2-{[8-chloro-4-(2-methylpropyl)-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}-N-(3-methylphenyl)acetamide |
| Molecular Weight: | 455.96 |
| Molecular Formula: | C22 H22 Cl N5 O2 S |
| Smiles: | CC(C)CN1C(c2ccc(cc2n2c1nnc2SCC(Nc1cccc(C)c1)=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.6949 |
| logD: | 4.6949 |
| logSw: | -4.7042 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.733 |
| InChI Key: | BOCSOLRPSAOWAP-UHFFFAOYSA-N |