2-{[8-chloro-4-(2-methylpropyl)-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}-N-cyclohexylacetamide
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-cyclohexylacetamide
2-{[8-chloro-4-(2-methylpropyl)-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}-N-cyclohexylacetamide
Compound characteristics
Compound ID: | F367-0786 |
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-cyclohexylacetamide |
Molecular Weight: | 447.99 |
Molecular Formula: | C21 H26 Cl N5 O2 S |
Smiles: | CC(C)CN1C(c2ccc(cc2n2c1nnc2SCC(NC1CCCCC1)=O)[Cl])=O |
Stereo: | ACHIRAL |
logP: | 4.2309 |
logD: | 4.2309 |
logSw: | -4.5318 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 63.78 |
InChI Key: | WBSKAOLKBUYJJG-UHFFFAOYSA-N |