2-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-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-[(2H-1,3-benzodioxol-5-yl)methyl]-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-[(2H-1,3-benzodioxol-5-yl)methyl]-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: | K263-0074 |
| Compound Name: | 2-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-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: | 533.67 |
| Molecular Formula: | C28 H27 N3 O4 S2 |
| Smiles: | C1CCC(CCNC(CSC2=Nc3c4ccccc4sc3C(N2Cc2ccc3c(c2)OCO3)=O)=O)=CC1 |
| Stereo: | ACHIRAL |
| logP: | 5.2355 |
| logD: | 5.2355 |
| logSw: | -5.581 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.886 |
| InChI Key: | BNQGPVFSMYWGRY-UHFFFAOYSA-N |