1-{[(4-bromophenyl)methyl]sulfanyl}-4-butylthieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Chemical Structure Depiction of
1-{[(4-bromophenyl)methyl]sulfanyl}-4-butylthieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
1-{[(4-bromophenyl)methyl]sulfanyl}-4-butylthieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Compound characteristics
| Compound ID: | F401-0045 |
| Compound Name: | 1-{[(4-bromophenyl)methyl]sulfanyl}-4-butylthieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one |
| Molecular Weight: | 449.39 |
| Molecular Formula: | C18 H17 Br N4 O S2 |
| Smiles: | CCCCN1C(c2c(ccs2)n2c1nnc2SCc1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.9275 |
| logD: | 4.9275 |
| logSw: | -4.4258 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.58 |
| InChI Key: | YFCRDXQGEUOBEM-UHFFFAOYSA-N |