6-[(2H-1,3-benzodioxol-5-yl)methyl]-1-ethyl-5-{[(3-methoxyphenyl)methyl]sulfanyl}-3-methyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
Chemical Structure Depiction of
6-[(2H-1,3-benzodioxol-5-yl)methyl]-1-ethyl-5-{[(3-methoxyphenyl)methyl]sulfanyl}-3-methyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
6-[(2H-1,3-benzodioxol-5-yl)methyl]-1-ethyl-5-{[(3-methoxyphenyl)methyl]sulfanyl}-3-methyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
Compound characteristics
| Compound ID: | E960-1139 |
| Compound Name: | 6-[(2H-1,3-benzodioxol-5-yl)methyl]-1-ethyl-5-{[(3-methoxyphenyl)methyl]sulfanyl}-3-methyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one |
| Molecular Weight: | 464.54 |
| Molecular Formula: | C24 H24 N4 O4 S |
| Smiles: | CCn1c2C(N(Cc3ccc4c(c3)OCO4)C(=Nc2c(C)n1)SCc1cccc(c1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7824 |
| logD: | 3.7824 |
| logSw: | -4.0495 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.097 |
| InChI Key: | FYFATJSQLLSXGH-UHFFFAOYSA-N |