2-{2-[(butan-2-yl)amino]-2-oxoethyl}-N-cyclopentyl-1,5-dioxo-4-(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}-N-cyclopentyl-1,5-dioxo-4-(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}-N-cyclopentyl-1,5-dioxo-4-(propan-2-yl)-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | F470-0904 |
| Compound Name: | 2-{2-[(butan-2-yl)amino]-2-oxoethyl}-N-cyclopentyl-1,5-dioxo-4-(propan-2-yl)-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 468.56 |
| Molecular Formula: | C24 H32 N6 O4 |
| Smiles: | CCC(C)NC(CN1C(N2C(=N1)N(C(C)C)C(c1ccc(cc12)C(NC1CCCC1)=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2501 |
| logD: | 2.2501 |
| logSw: | -3.0667 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.617 |
| InChI Key: | VAOVHPZAYPBMDS-HNNXBMFYSA-N |