N-(butan-2-yl)-2-(2-{[(4-fluorophenyl)methyl]amino}-2-oxoethyl)-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
N-(butan-2-yl)-2-(2-{[(4-fluorophenyl)methyl]amino}-2-oxoethyl)-1,5-dioxo-4-(propan-2-yl)-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
N-(butan-2-yl)-2-(2-{[(4-fluorophenyl)methyl]amino}-2-oxoethyl)-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: | F470-0893 |
| Compound Name: | N-(butan-2-yl)-2-(2-{[(4-fluorophenyl)methyl]amino}-2-oxoethyl)-1,5-dioxo-4-(propan-2-yl)-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 508.55 |
| Molecular Formula: | C26 H29 F N6 O4 |
| Smiles: | CCC(C)NC(c1ccc2C(N(C(C)C)C3=NN(CC(NCc4ccc(cc4)F)=O)C(N3c2c1)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.209 |
| logD: | 2.209 |
| logSw: | -3.0121 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.525 |
| InChI Key: | CZJBRORTIYQLHA-INIZCTEOSA-N |