N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | 3993-1931 |
| Compound Name: | N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide |
| Molecular Weight: | 454.63 |
| Molecular Formula: | C22 H22 N4 O S3 |
| Smiles: | C1CCc2c(C#N)c(NC(CSc3c4c5CCCCc5sc4ncn3)=O)sc2CC1 |
| Stereo: | ACHIRAL |
| logP: | 5.5535 |
| logD: | 4.4729 |
| logSw: | -5.7352 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.185 |
| InChI Key: | CNHVZDMBUXLOGS-UHFFFAOYSA-N |