2-[(3-benzyl-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-[2-(cyclohex-1-en-1-yl)ethyl]acetamide
Chemical Structure Depiction of
2-[(3-benzyl-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-[2-(cyclohex-1-en-1-yl)ethyl]acetamide
2-[(3-benzyl-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-[2-(cyclohex-1-en-1-yl)ethyl]acetamide
Compound characteristics
| Compound ID: | K263-0080 |
| Compound Name: | 2-[(3-benzyl-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-[2-(cyclohex-1-en-1-yl)ethyl]acetamide |
| Molecular Weight: | 489.66 |
| Molecular Formula: | C27 H27 N3 O2 S2 |
| Smiles: | C1CCC(CCNC(CSC2=Nc3c4ccccc4sc3C(N2Cc2ccccc2)=O)=O)=CC1 |
| Stereo: | ACHIRAL |
| logP: | 5.3643 |
| logD: | 5.3643 |
| logSw: | -5.7146 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.771 |
| InChI Key: | MQMNSNZNVYFVBT-UHFFFAOYSA-N |