methyl {[9-(3,5-difluorophenyl)-8-oxo-4,5,6,7,8,9-hexahydro[1,2,4]triazolo[5,1-b]quinazolin-2-yl]sulfanyl}acetate
Chemical Structure Depiction of
methyl {[9-(3,5-difluorophenyl)-8-oxo-4,5,6,7,8,9-hexahydro[1,2,4]triazolo[5,1-b]quinazolin-2-yl]sulfanyl}acetate
methyl {[9-(3,5-difluorophenyl)-8-oxo-4,5,6,7,8,9-hexahydro[1,2,4]triazolo[5,1-b]quinazolin-2-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | Y020-1640 |
| Compound Name: | methyl {[9-(3,5-difluorophenyl)-8-oxo-4,5,6,7,8,9-hexahydro[1,2,4]triazolo[5,1-b]quinazolin-2-yl]sulfanyl}acetate |
| Molecular Weight: | 406.41 |
| Molecular Formula: | C18 H16 F2 N4 O3 S |
| Smiles: | COC(CSc1nc2NC3CCCC(C=3C(c3cc(cc(c3)F)F)n2n1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8635 |
| logD: | 2.8016 |
| logSw: | -3.3213 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.917 |
| InChI Key: | CWZCRTWDOWOZRT-INIZCTEOSA-N |