N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[(4-oxo-3,5-diphenyl-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-3,5-diphenyl-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-3,5-diphenyl-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | 4112-3896 |
| Compound Name: | N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[(4-oxo-3,5-diphenyl-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 568.74 |
| Molecular Formula: | C30 H24 N4 O2 S3 |
| Smiles: | C1CCc2c(C#N)c(NC(CSC3=Nc4c(C(N3c3ccccc3)=O)c(cs4)c3ccccc3)=O)sc2CC1 |
| Stereo: | ACHIRAL |
| logP: | 6.4482 |
| logD: | 5.6673 |
| logSw: | -5.969 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.042 |
| InChI Key: | KGYSSPWQIFGRPI-UHFFFAOYSA-N |