N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-{[4-oxo-5-phenyl-3-(prop-2-en-1-yl)-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-{[4-oxo-5-phenyl-3-(prop-2-en-1-yl)-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-{[4-oxo-5-phenyl-3-(prop-2-en-1-yl)-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 4112-4001 |
| Compound Name: | N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-{[4-oxo-5-phenyl-3-(prop-2-en-1-yl)-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 532.7 |
| Molecular Formula: | C27 H24 N4 O2 S3 |
| Smiles: | C=CCN1C(=Nc2c(C1=O)c(cs2)c1ccccc1)SCC(Nc1c(C#N)c2CCCCCc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9271 |
| logD: | 5.0682 |
| logSw: | -5.8014 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.903 |
| InChI Key: | PSPCRHICWWGFHW-UHFFFAOYSA-N |