3-[(4-propoxyphenyl)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-[(4-propoxyphenyl)methyl]-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
3-[(4-propoxyphenyl)methyl]-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | C200-9301 |
| Compound Name: | 3-[(4-propoxyphenyl)methyl]-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 541.61 |
| Molecular Formula: | C27 H22 F3 N3 O2 S2 |
| Smiles: | CCCOc1ccc(CN2C(=Nc3c4cccnc4sc3C2=O)SCc2cccc(c2)C(F)(F)F)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.9702 |
| logD: | 6.9702 |
| logSw: | -5.9198 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.089 |
| InChI Key: | NLRARTBHPALNKR-UHFFFAOYSA-N |