3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | F399-0330 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 527.54 |
| Molecular Formula: | C25 H16 F3 N3 O3 S2 |
| Smiles: | C(c1ccc2c(c1)OCO2)N1C(=Nc2c3cccnc3sc2C1=O)SCc1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 5.882 |
| logD: | 5.882 |
| logSw: | -6.3802 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.787 |
| InChI Key: | NWIUPIQWODLPQL-UHFFFAOYSA-N |