N-(butan-2-yl)-2-(cyanomethyl)-4-(3-methylbutyl)-1,5-dioxo-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Chemical Structure Depiction of
N-(butan-2-yl)-2-(cyanomethyl)-4-(3-methylbutyl)-1,5-dioxo-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
N-(butan-2-yl)-2-(cyanomethyl)-4-(3-methylbutyl)-1,5-dioxo-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | F471-0356 |
| Compound Name: | N-(butan-2-yl)-2-(cyanomethyl)-4-(3-methylbutyl)-1,5-dioxo-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 410.47 |
| Molecular Formula: | C21 H26 N6 O3 |
| Smiles: | CCC(C)NC(c1ccc2C(N(CCC(C)C)C3=NN(CC#N)C(N3c2c1)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9225 |
| logD: | 1.9225 |
| logSw: | -2.8697 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.053 |
| InChI Key: | HMNLOSYSAMRFEP-AWEZNQCLSA-N |