1-{[(3-bromophenyl)methyl]sulfanyl}-4-[(2-methoxyphenyl)methyl]thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Chemical Structure Depiction of
1-{[(3-bromophenyl)methyl]sulfanyl}-4-[(2-methoxyphenyl)methyl]thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
1-{[(3-bromophenyl)methyl]sulfanyl}-4-[(2-methoxyphenyl)methyl]thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Compound characteristics
| Compound ID: | F401-0358 |
| Compound Name: | 1-{[(3-bromophenyl)methyl]sulfanyl}-4-[(2-methoxyphenyl)methyl]thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one |
| Molecular Weight: | 513.43 |
| Molecular Formula: | C22 H17 Br N4 O2 S2 |
| Smiles: | COc1ccccc1CN1C(c2c(ccs2)n2c1nnc2SCc1cccc(c1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.3726 |
| logD: | 5.3726 |
| logSw: | -5.3088 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.961 |
| InChI Key: | ZMLIZZKFVWOPQV-UHFFFAOYSA-N |