N-(2-chloro-4-methylphenyl)-2-[(5-oxo-4-propyl-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(2-chloro-4-methylphenyl)-2-[(5-oxo-4-propyl-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide
N-(2-chloro-4-methylphenyl)-2-[(5-oxo-4-propyl-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide
Compound characteristics
Compound ID: | F367-0023 |
Compound Name: | N-(2-chloro-4-methylphenyl)-2-[(5-oxo-4-propyl-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide |
Molecular Weight: | 441.94 |
Molecular Formula: | C21 H20 Cl N5 O2 S |
Smiles: | CCCN1C(c2ccccc2n2c1nnc2SCC(Nc1ccc(C)cc1[Cl])=O)=O |
Stereo: | ACHIRAL |
logP: | 3.806 |
logD: | 3.8059 |
logSw: | -4.1385 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 62.014 |
InChI Key: | VNEHFKZZHZZQEB-UHFFFAOYSA-N |