2-{2-[(butan-2-yl)amino]-2-oxoethyl}-4-[(4-methylphenyl)methyl]-1,5-dioxo-N-(propan-2-yl)-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Chemical Structure Depiction of
2-{2-[(butan-2-yl)amino]-2-oxoethyl}-4-[(4-methylphenyl)methyl]-1,5-dioxo-N-(propan-2-yl)-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
2-{2-[(butan-2-yl)amino]-2-oxoethyl}-4-[(4-methylphenyl)methyl]-1,5-dioxo-N-(propan-2-yl)-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | F470-0627 |
| Compound Name: | 2-{2-[(butan-2-yl)amino]-2-oxoethyl}-4-[(4-methylphenyl)methyl]-1,5-dioxo-N-(propan-2-yl)-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 504.59 |
| Molecular Formula: | C27 H32 N6 O4 |
| Smiles: | CCC(C)NC(CN1C(N2C(=N1)N(Cc1ccc(C)cc1)C(c1ccc(cc12)C(NC(C)C)=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8518 |
| logD: | 2.8518 |
| logSw: | -3.4012 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.779 |
| InChI Key: | VDEWHQGLFWKPPD-SFHVURJKSA-N |