N-(butan-2-yl)-1-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-5-oxo-4-propyl-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Chemical Structure Depiction of
N-(butan-2-yl)-1-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-5-oxo-4-propyl-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
N-(butan-2-yl)-1-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-5-oxo-4-propyl-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | F472-0093 |
| Compound Name: | N-(butan-2-yl)-1-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-5-oxo-4-propyl-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 510.59 |
| Molecular Formula: | C25 H27 F N6 O3 S |
| Smiles: | CCCN1C(c2ccc(cc2n2c1nnc2SCC(Nc1ccc(cc1)F)=O)C(NC(C)CC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2005 |
| logD: | 3.2004 |
| logSw: | -3.6467 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.838 |
| InChI Key: | NMGVKZCOYAIAST-HNNXBMFYSA-N |