N-(5-chloro-2-methoxyphenyl)-2-{[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-(5-chloro-2-methoxyphenyl)-2-{[4-(2-methylpropyl)-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}acetamide
N-(5-chloro-2-methoxyphenyl)-2-{[4-(2-methylpropyl)-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}acetamide
Compound characteristics
Compound ID: | F367-0060 |
Compound Name: | N-(5-chloro-2-methoxyphenyl)-2-{[4-(2-methylpropyl)-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}acetamide |
Molecular Weight: | 471.96 |
Molecular Formula: | C22 H22 Cl N5 O3 S |
Smiles: | CC(C)CN1C(c2ccccc2n2c1nnc2SCC(Nc1cc(ccc1OC)[Cl])=O)=O |
Stereo: | ACHIRAL |
logP: | 3.7871 |
logD: | 3.7841 |
logSw: | -4.2239 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 69.665 |
InChI Key: | FIBFJYYNBIQGAR-UHFFFAOYSA-N |