N-(2,5-dimethoxyphenyl)-2-{[4-oxo-3-(prop-2-en-1-yl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2,5-dimethoxyphenyl)-2-{[4-oxo-3-(prop-2-en-1-yl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
N-(2,5-dimethoxyphenyl)-2-{[4-oxo-3-(prop-2-en-1-yl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 3993-1724 |
| Compound Name: | N-(2,5-dimethoxyphenyl)-2-{[4-oxo-3-(prop-2-en-1-yl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 471.6 |
| Molecular Formula: | C23 H25 N3 O4 S2 |
| Smiles: | COc1ccc(c(c1)NC(CSC1=Nc2c(C(N1CC=C)=O)c1CCCCc1s2)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.0631 |
| logD: | 4.0628 |
| logSw: | -4.3769 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.47 |
| InChI Key: | AQPHASXYSBBTEP-UHFFFAOYSA-N |