N-(2H-1,3-benzodioxol-5-yl)-2-{[4-oxo-3-(2-phenylethyl)-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-{[4-oxo-3-(2-phenylethyl)-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-{[4-oxo-3-(2-phenylethyl)-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | E580-0171 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-{[4-oxo-3-(2-phenylethyl)-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 467.56 |
| Molecular Formula: | C23 H21 N3 O4 S2 |
| Smiles: | C1CSC2=C1N=C(N(CCc1ccccc1)C2=O)SCC(Nc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4464 |
| logD: | 3.4464 |
| logSw: | -3.7639 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.351 |
| InChI Key: | GVZSRPAKQCSNNE-UHFFFAOYSA-N |