1-{[(4-bromophenyl)methyl]sulfanyl}-4-(2-phenylethyl)thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Chemical Structure Depiction of
1-{[(4-bromophenyl)methyl]sulfanyl}-4-(2-phenylethyl)thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
1-{[(4-bromophenyl)methyl]sulfanyl}-4-(2-phenylethyl)thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Compound characteristics
| Compound ID: | F401-0270 |
| Compound Name: | 1-{[(4-bromophenyl)methyl]sulfanyl}-4-(2-phenylethyl)thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one |
| Molecular Weight: | 497.43 |
| Molecular Formula: | C22 H17 Br N4 O S2 |
| Smiles: | C(CN1C(c2c(ccs2)n2c1nnc2SCc1ccc(cc1)[Br])=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.365 |
| logD: | 5.365 |
| logSw: | -5.5675 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.309 |
| InChI Key: | JIKCCCVFRRMPKD-UHFFFAOYSA-N |