4-{3-[(propan-2-yl)oxy]propyl}-1-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Chemical Structure Depiction of
4-{3-[(propan-2-yl)oxy]propyl}-1-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
4-{3-[(propan-2-yl)oxy]propyl}-1-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Compound characteristics
| Compound ID: | F458-0065 |
| Compound Name: | 4-{3-[(propan-2-yl)oxy]propyl}-1-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one |
| Molecular Weight: | 476.52 |
| Molecular Formula: | C23 H23 F3 N4 O2 S |
| Smiles: | CC(C)OCCCN1C(c2ccccc2n2c1nnc2SCc1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3199 |
| logD: | 4.3199 |
| logSw: | -4.3723 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.763 |
| InChI Key: | KWBXUWYYQJJFKH-UHFFFAOYSA-N |