1-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-(4-methoxyphenyl)-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
1-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-(4-methoxyphenyl)-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
1-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-(4-methoxyphenyl)-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: | 4333-3659 |
| Compound Name: | 1-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-(4-methoxyphenyl)-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one |
| Molecular Weight: | 581.51 |
| Molecular Formula: | C26 H21 Br N4 O3 S2 |
| Smiles: | COc1ccc(cc1)N1C(c2c3CCCCc3sc2n2c1nnc2SCC(c1ccc(cc1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7217 |
| logD: | 5.7217 |
| logSw: | -5.4956 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.863 |
| InChI Key: | YEGAEKCCJUXQDW-UHFFFAOYSA-N |