4-[(thiophen-2-yl)methyl]-1-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Chemical Structure Depiction of
4-[(thiophen-2-yl)methyl]-1-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
4-[(thiophen-2-yl)methyl]-1-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Compound characteristics
| Compound ID: | F401-0457 |
| Compound Name: | 4-[(thiophen-2-yl)methyl]-1-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one |
| Molecular Weight: | 478.54 |
| Molecular Formula: | C20 H13 F3 N4 O S3 |
| Smiles: | C(c1cccs1)N1C(c2c(ccs2)n2c1nnc2SCc1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1228 |
| logD: | 5.1228 |
| logSw: | -5.4925 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.349 |
| InChI Key: | MYWWWAFBGQRCGM-UHFFFAOYSA-N |