7-fluoro-1-{[(3-methoxyphenyl)methyl]sulfanyl}-4-propyl[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Chemical Structure Depiction of
7-fluoro-1-{[(3-methoxyphenyl)methyl]sulfanyl}-4-propyl[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
7-fluoro-1-{[(3-methoxyphenyl)methyl]sulfanyl}-4-propyl[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Compound characteristics
| Compound ID: | F458-0453 |
| Compound Name: | 7-fluoro-1-{[(3-methoxyphenyl)methyl]sulfanyl}-4-propyl[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one |
| Molecular Weight: | 398.46 |
| Molecular Formula: | C20 H19 F N4 O2 S |
| Smiles: | CCCN1C(c2cc(ccc2n2c1nnc2SCc1cccc(c1)OC)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.192 |
| logD: | 4.192 |
| logSw: | -4.3083 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.106 |
| InChI Key: | KPWMEEBQUGNFRA-UHFFFAOYSA-N |