N-(butan-2-yl)-4-(2-methylpropyl)-1,5-dioxo-2-{2-oxo-2-[(propan-2-yl)amino]ethyl}-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Chemical Structure Depiction of
N-(butan-2-yl)-4-(2-methylpropyl)-1,5-dioxo-2-{2-oxo-2-[(propan-2-yl)amino]ethyl}-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
N-(butan-2-yl)-4-(2-methylpropyl)-1,5-dioxo-2-{2-oxo-2-[(propan-2-yl)amino]ethyl}-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | F470-0273 |
| Compound Name: | N-(butan-2-yl)-4-(2-methylpropyl)-1,5-dioxo-2-{2-oxo-2-[(propan-2-yl)amino]ethyl}-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 456.54 |
| Molecular Formula: | C23 H32 N6 O4 |
| Smiles: | CCC(C)NC(c1ccc2C(N(CC(C)C)C3=NN(CC(NC(C)C)=O)C(N3c2c1)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8058 |
| logD: | 1.8058 |
| logSw: | -2.7764 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.05 |
| InChI Key: | AHBMXPIXFJEHGM-HNNXBMFYSA-N |