8-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-2,3-dimethyl-5-phenylthieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-4(5H)-one
Chemical Structure Depiction of
8-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-2,3-dimethyl-5-phenylthieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-4(5H)-one
8-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-2,3-dimethyl-5-phenylthieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-4(5H)-one
Compound characteristics
| Compound ID: | 3379-1939 |
| Compound Name: | 8-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-2,3-dimethyl-5-phenylthieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-4(5H)-one |
| Molecular Weight: | 480.99 |
| Molecular Formula: | C23 H17 Cl N4 O2 S2 |
| Smiles: | Cc1c2C(N(c3ccccc3)c3nnc(n3c2sc1C)SCC(c1ccc(cc1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.921 |
| logD: | 4.921 |
| logSw: | -5.2548 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.399 |
| InChI Key: | XMTRVTIEOJSVON-UHFFFAOYSA-N |