N-(butan-2-yl)-3-[1-{[2-(3-fluoroanilino)-2-oxoethyl]sulfanyl}-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]propanamide
Chemical Structure Depiction of
N-(butan-2-yl)-3-[1-{[2-(3-fluoroanilino)-2-oxoethyl]sulfanyl}-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]propanamide
N-(butan-2-yl)-3-[1-{[2-(3-fluoroanilino)-2-oxoethyl]sulfanyl}-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]propanamide
Compound characteristics
| Compound ID: | L942-0098 |
| Compound Name: | N-(butan-2-yl)-3-[1-{[2-(3-fluoroanilino)-2-oxoethyl]sulfanyl}-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]propanamide |
| Molecular Weight: | 496.56 |
| Molecular Formula: | C24 H25 F N6 O3 S |
| Smiles: | CCC(C)NC(CCN1C(c2ccccc2n2c1nnc2SCC(Nc1cccc(c1)F)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7866 |
| logD: | 2.7864 |
| logSw: | -3.5247 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.624 |
| InChI Key: | TXUGVTAFIPKAIE-HNNXBMFYSA-N |