N-(3-chlorophenyl)-2-[4-(2-methylpropyl)-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-(2-methylpropyl)-1,5-dioxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-2(1H)-yl]acetamide
N-(3-chlorophenyl)-2-[4-(2-methylpropyl)-1,5-dioxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-2(1H)-yl]acetamide
Compound characteristics
| Compound ID: | F365-0043 |
| Compound Name: | N-(3-chlorophenyl)-2-[4-(2-methylpropyl)-1,5-dioxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-2(1H)-yl]acetamide |
| Molecular Weight: | 425.87 |
| Molecular Formula: | C21 H20 Cl N5 O3 |
| Smiles: | CC(C)CN1C2=NN(CC(Nc3cccc(c3)[Cl])=O)C(N2c2ccccc2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0005 |
| logD: | 4.0005 |
| logSw: | -4.3387 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.356 |
| InChI Key: | WIRONKREBQRKCN-UHFFFAOYSA-N |