2,3-dimethyl-8-[(3-methylbutyl)sulfanyl]-5-phenylthieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-4(5H)-one
Chemical Structure Depiction of
2,3-dimethyl-8-[(3-methylbutyl)sulfanyl]-5-phenylthieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-4(5H)-one
2,3-dimethyl-8-[(3-methylbutyl)sulfanyl]-5-phenylthieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-4(5H)-one
Compound characteristics
| Compound ID: | 4819-0716 |
| Compound Name: | 2,3-dimethyl-8-[(3-methylbutyl)sulfanyl]-5-phenylthieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-4(5H)-one |
| Molecular Weight: | 398.55 |
| Molecular Formula: | C20 H22 N4 O S2 |
| Smiles: | CC(C)CCSc1nnc2N(C(c3c(C)c(C)sc3n12)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.79 |
| logD: | 4.79 |
| logSw: | -4.6269 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.424 |
| InChI Key: | UXORJWBDPSRUDG-UHFFFAOYSA-N |