2-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-3-(2-methoxyphenyl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
Chemical Structure Depiction of
2-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-3-(2-methoxyphenyl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
2-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-3-(2-methoxyphenyl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | 5627-0065 |
| Compound Name: | 2-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-3-(2-methoxyphenyl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one |
| Molecular Weight: | 464.56 |
| Molecular Formula: | C24 H20 N2 O4 S2 |
| Smiles: | COc1ccccc1N1C(=Nc2c(C1=O)c1CCCc1s2)SCc1ccc2c(c1)OCO2 |
| Stereo: | ACHIRAL |
| logP: | 4.9447 |
| logD: | 4.9447 |
| logSw: | -4.7243 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.793 |
| InChI Key: | WOCPOMBTMPNQTB-UHFFFAOYSA-N |