2-[(7-chloro-5-oxo-4-propyl-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]-N-(3-chlorophenyl)acetamide
Chemical Structure Depiction of
2-[(7-chloro-5-oxo-4-propyl-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]-N-(3-chlorophenyl)acetamide
2-[(7-chloro-5-oxo-4-propyl-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]-N-(3-chlorophenyl)acetamide
Compound characteristics
| Compound ID: | F367-0621 |
| Compound Name: | 2-[(7-chloro-5-oxo-4-propyl-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]-N-(3-chlorophenyl)acetamide |
| Molecular Weight: | 462.36 |
| Molecular Formula: | C20 H17 Cl2 N5 O2 S |
| Smiles: | CCCN1C(c2cc(ccc2n2c1nnc2SCC(Nc1cccc(c1)[Cl])=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.7435 |
| logD: | 4.7434 |
| logSw: | -4.7105 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.711 |
| InChI Key: | IJYOHKQAQMGMEG-UHFFFAOYSA-N |