pentyl [(2,3-dimethyl-4-oxo-5-phenyl-4,5-dihydrothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-8-yl)sulfanyl]acetate
Chemical Structure Depiction of
pentyl [(2,3-dimethyl-4-oxo-5-phenyl-4,5-dihydrothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-8-yl)sulfanyl]acetate
pentyl [(2,3-dimethyl-4-oxo-5-phenyl-4,5-dihydrothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-8-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | 4819-0810 |
| Compound Name: | pentyl [(2,3-dimethyl-4-oxo-5-phenyl-4,5-dihydrothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-8-yl)sulfanyl]acetate |
| Molecular Weight: | 456.58 |
| Molecular Formula: | C22 H24 N4 O3 S2 |
| Smiles: | CCCCCOC(CSc1nnc2N(C(c3c(C)c(C)sc3n12)=O)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8324 |
| logD: | 4.8324 |
| logSw: | -4.652 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.876 |
| InChI Key: | FAMXHIWOTQQRIV-UHFFFAOYSA-N |