N-cyclohexyl-3-{2-[(2-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-[(2-methylphenyl)methyl]-1,5-dioxo-1,2-dihydro[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl}propanamide
N-cyclohexyl-3-{2-[(2-methylphenyl)methyl]-1,5-dioxo-1,2-dihydro[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl}propanamide
Compound characteristics
| Compound ID: | L940-0003 |
| Compound Name: | N-cyclohexyl-3-{2-[(2-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: | Cc1ccccc1CN1C(N2C(=N1)N(CCC(NC1CCCCC1)=O)C(c1ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2638 |
| logD: | 4.2638 |
| logSw: | -4.1794 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.11 |
| InChI Key: | DJMWJERFHGQGDK-UHFFFAOYSA-N |