N-(butan-2-yl)-1-{[(2-chloro-6-fluorophenyl)methyl]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-chloro-6-fluorophenyl)methyl]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-chloro-6-fluorophenyl)methyl]sulfanyl}-4-(2-methylpropyl)-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | F472-0703 |
| Compound Name: | N-(butan-2-yl)-1-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-4-(2-methylpropyl)-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 516.04 |
| Molecular Formula: | C25 H27 Cl F N5 O2 S |
| Smiles: | CCC(C)NC(c1ccc2C(N(CC(C)C)c3nnc(n3c2c1)SCc1c(cccc1[Cl])F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9745 |
| logD: | 4.9745 |
| logSw: | -5.0169 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.71 |
| InChI Key: | CHUQWWZYNQLBDY-HNNXBMFYSA-N |