N-(3-chlorophenyl)-2-[4-(3-methylbutyl)-1,5-dioxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-2(1H)-yl]acetamide
Chemical Structure Depiction of
N-(3-chlorophenyl)-2-[4-(3-methylbutyl)-1,5-dioxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-2(1H)-yl]acetamide
N-(3-chlorophenyl)-2-[4-(3-methylbutyl)-1,5-dioxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-2(1H)-yl]acetamide
Compound characteristics
Compound ID: | F365-0074 |
Compound Name: | N-(3-chlorophenyl)-2-[4-(3-methylbutyl)-1,5-dioxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-2(1H)-yl]acetamide |
Molecular Weight: | 439.9 |
Molecular Formula: | C22 H22 Cl N5 O3 |
Smiles: | CC(C)CCN1C2=NN(CC(Nc3cccc(c3)[Cl])=O)C(N2c2ccccc2C1=O)=O |
Stereo: | ACHIRAL |
logP: | 4.3378 |
logD: | 4.3378 |
logSw: | -4.4036 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 71.335 |
InChI Key: | CWZSJQVDUFJNFY-UHFFFAOYSA-N |