4-benzyl-1-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Chemical Structure Depiction of
4-benzyl-1-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
4-benzyl-1-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Compound characteristics
| Compound ID: | 4464-0677 |
| Compound Name: | 4-benzyl-1-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one |
| Molecular Weight: | 565.51 |
| Molecular Formula: | C26 H21 Br N4 O2 S2 |
| Smiles: | C1CCc2c(C1)c1C(N(Cc3ccccc3)c3nnc(n3c1s2)SCC(c1ccc(cc1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.2128 |
| logD: | 6.2128 |
| logSw: | -5.9488 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.931 |
| InChI Key: | LPJRWQSGWFQBPX-UHFFFAOYSA-N |