N-cyclohexyl-3-{2-[(4-methylphenyl)methyl]-1,5-dioxo-1,2-dihydro[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl}propanamide
Chemical Structure Depiction of
N-cyclohexyl-3-{2-[(4-methylphenyl)methyl]-1,5-dioxo-1,2-dihydro[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl}propanamide
N-cyclohexyl-3-{2-[(4-methylphenyl)methyl]-1,5-dioxo-1,2-dihydro[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl}propanamide
Compound characteristics
| Compound ID: | L940-0010 |
| Compound Name: | N-cyclohexyl-3-{2-[(4-methylphenyl)methyl]-1,5-dioxo-1,2-dihydro[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl}propanamide |
| Molecular Weight: | 459.55 |
| Molecular Formula: | C26 H29 N5 O3 |
| Smiles: | Cc1ccc(CN2C(N3C(=N2)N(CCC(NC2CCCCC2)=O)C(c2ccccc23)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.9399 |
| logD: | 3.9399 |
| logSw: | -3.9675 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.11 |
| InChI Key: | ONIPWMDFDRKLQZ-UHFFFAOYSA-N |