ethyl 6-amino-2-({[6-amino-3,5-dicyano-4-(4-fluorophenyl)pyridin-2-yl]sulfanyl}methyl)-5-cyano-4-(thiophen-2-yl)-4H-pyran-3-carboxylate
Chemical Structure Depiction of
ethyl 6-amino-2-({[6-amino-3,5-dicyano-4-(4-fluorophenyl)pyridin-2-yl]sulfanyl}methyl)-5-cyano-4-(thiophen-2-yl)-4H-pyran-3-carboxylate
ethyl 6-amino-2-({[6-amino-3,5-dicyano-4-(4-fluorophenyl)pyridin-2-yl]sulfanyl}methyl)-5-cyano-4-(thiophen-2-yl)-4H-pyran-3-carboxylate
Compound characteristics
| Compound ID: | 8003-4586 |
| Compound Name: | ethyl 6-amino-2-({[6-amino-3,5-dicyano-4-(4-fluorophenyl)pyridin-2-yl]sulfanyl}methyl)-5-cyano-4-(thiophen-2-yl)-4H-pyran-3-carboxylate |
| Molecular Weight: | 558.61 |
| Molecular Formula: | C27 H19 F N6 O3 S2 |
| Smiles: | CCOC(C1C(C(C#N)=C(N)OC=1CSc1c(C#N)c(c2ccc(cc2)F)c(C#N)c(N)n1)c1cccs1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0922 |
| logD: | 4.0922 |
| logSw: | -4.4713 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 131.672 |
| InChI Key: | VVZVIRXCVKNFMH-QFIPXVFZSA-N |