2-(cyanomethyl)-N-cyclopentyl-4-[(4-methylphenyl)methyl]-1,5-dioxo-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Chemical Structure Depiction of
2-(cyanomethyl)-N-cyclopentyl-4-[(4-methylphenyl)methyl]-1,5-dioxo-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
2-(cyanomethyl)-N-cyclopentyl-4-[(4-methylphenyl)methyl]-1,5-dioxo-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | F471-0644 |
| Compound Name: | 2-(cyanomethyl)-N-cyclopentyl-4-[(4-methylphenyl)methyl]-1,5-dioxo-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 456.5 |
| Molecular Formula: | C25 H24 N6 O3 |
| Smiles: | Cc1ccc(CN2C3=NN(CC#N)C(N3c3cc(ccc3C2=O)C(NC2CCCC2)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.9668 |
| logD: | 2.9668 |
| logSw: | -3.4627 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.182 |
| InChI Key: | GOVQJNBBIWKOJA-UHFFFAOYSA-N |