ethyl 6-amino-5-cyano-2-{[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]methyl}-4-(thiophen-2-yl)-4H-pyran-3-carboxylate
Chemical Structure Depiction of
ethyl 6-amino-5-cyano-2-{[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]methyl}-4-(thiophen-2-yl)-4H-pyran-3-carboxylate
ethyl 6-amino-5-cyano-2-{[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]methyl}-4-(thiophen-2-yl)-4H-pyran-3-carboxylate
Compound characteristics
| Compound ID: | 8003-3639 |
| Compound Name: | ethyl 6-amino-5-cyano-2-{[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]methyl}-4-(thiophen-2-yl)-4H-pyran-3-carboxylate |
| Molecular Weight: | 492.62 |
| Molecular Formula: | C25 H24 N4 O3 S2 |
| Smiles: | CCOC(C1C(C(C#N)=C(N)OC=1CSc1c(C#N)cc2CCCCCc2n1)c1cccs1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6961 |
| logD: | 4.6961 |
| logSw: | -4.5923 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.943 |
| InChI Key: | PJSKMEACMGQXGY-NRFANRHFSA-N |