N-(butan-2-yl)-1-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-4-(2-methylpropyl)-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Chemical Structure Depiction of
N-(butan-2-yl)-1-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-4-(2-methylpropyl)-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
N-(butan-2-yl)-1-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-4-(2-methylpropyl)-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | F472-0691 |
| Compound Name: | N-(butan-2-yl)-1-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-4-(2-methylpropyl)-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 509.6 |
| Molecular Formula: | C26 H28 F N5 O3 S |
| Smiles: | CCC(C)NC(c1ccc2C(N(CC(C)C)c3nnc(n3c2c1)SCC(c1ccc(cc1)F)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7796 |
| logD: | 3.7796 |
| logSw: | -4.0989 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.957 |
| InChI Key: | PABRKDSVSHVYMC-INIZCTEOSA-N |