2-{[7-methyl-4-oxo-3-(prop-2-en-1-yl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(2-phenylethyl)acetamide
Chemical Structure Depiction of
2-{[7-methyl-4-oxo-3-(prop-2-en-1-yl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(2-phenylethyl)acetamide
2-{[7-methyl-4-oxo-3-(prop-2-en-1-yl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(2-phenylethyl)acetamide
Compound characteristics
| Compound ID: | 3993-2514 |
| Compound Name: | 2-{[7-methyl-4-oxo-3-(prop-2-en-1-yl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(2-phenylethyl)acetamide |
| Molecular Weight: | 453.62 |
| Molecular Formula: | C24 H27 N3 O2 S2 |
| Smiles: | CC1CCc2c3C(N(CC=C)C(=Nc3sc2C1)SCC(NCCc1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2697 |
| logD: | 4.2697 |
| logSw: | -4.4091 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.157 |
| InChI Key: | VJDMFSYPFUOITN-MRXNPFEDSA-N |