ethyl 6-amino-5-cyano-4-(4-cyanophenyl)-2-({[3-cyano-6-(thiophen-2-yl)pyridin-2-yl]sulfanyl}methyl)-4H-pyran-3-carboxylate
Chemical Structure Depiction of
ethyl 6-amino-5-cyano-4-(4-cyanophenyl)-2-({[3-cyano-6-(thiophen-2-yl)pyridin-2-yl]sulfanyl}methyl)-4H-pyran-3-carboxylate
ethyl 6-amino-5-cyano-4-(4-cyanophenyl)-2-({[3-cyano-6-(thiophen-2-yl)pyridin-2-yl]sulfanyl}methyl)-4H-pyran-3-carboxylate
Compound characteristics
| Compound ID: | 8003-4564 |
| Compound Name: | ethyl 6-amino-5-cyano-4-(4-cyanophenyl)-2-({[3-cyano-6-(thiophen-2-yl)pyridin-2-yl]sulfanyl}methyl)-4H-pyran-3-carboxylate |
| Molecular Weight: | 525.61 |
| Molecular Formula: | C27 H19 N5 O3 S2 |
| Smiles: | CCOC(C1C(C(C#N)=C(N)OC=1CSc1c(C#N)ccc(c2cccs2)n1)c1ccc(C#N)cc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6007 |
| logD: | 4.6007 |
| logSw: | -4.6469 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 110.976 |
| InChI Key: | QQZPTURBXOGWBP-QHCPKHFHSA-N |