ethyl 8-{[(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)sulfanyl]methyl}-2H,4H-1,3-benzodioxine-6-carboxylate
Chemical Structure Depiction of
ethyl 8-{[(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)sulfanyl]methyl}-2H,4H-1,3-benzodioxine-6-carboxylate
ethyl 8-{[(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)sulfanyl]methyl}-2H,4H-1,3-benzodioxine-6-carboxylate
Compound characteristics
| Compound ID: | D306-0445 |
| Compound Name: | ethyl 8-{[(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)sulfanyl]methyl}-2H,4H-1,3-benzodioxine-6-carboxylate |
| Molecular Weight: | 386.47 |
| Molecular Formula: | C20 H22 N2 O4 S |
| Smiles: | CCOC(c1cc2COCOc2c(CSc2c3CCCc3nc(C)n2)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2266 |
| logD: | 4.2098 |
| logSw: | -4.2061 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.713 |
| InChI Key: | XVLQVPOIVPSKLM-UHFFFAOYSA-N |