methyl 6-amino-5-cyano-4-(4-methoxy-3-{[(pyridin-2-yl)sulfanyl]methyl}phenyl)-2-methyl-4H-pyran-3-carboxylate
Chemical Structure Depiction of
methyl 6-amino-5-cyano-4-(4-methoxy-3-{[(pyridin-2-yl)sulfanyl]methyl}phenyl)-2-methyl-4H-pyran-3-carboxylate
methyl 6-amino-5-cyano-4-(4-methoxy-3-{[(pyridin-2-yl)sulfanyl]methyl}phenyl)-2-methyl-4H-pyran-3-carboxylate
Compound characteristics
| Compound ID: | 8009-9324 |
| Compound Name: | methyl 6-amino-5-cyano-4-(4-methoxy-3-{[(pyridin-2-yl)sulfanyl]methyl}phenyl)-2-methyl-4H-pyran-3-carboxylate |
| Molecular Weight: | 423.49 |
| Molecular Formula: | C22 H21 N3 O4 S |
| Smiles: | CC1=C(C(C(C#N)=C(N)O1)c1ccc(c(CSc2ccccn2)c1)OC)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7117 |
| logD: | 2.7117 |
| logSw: | -3.1011 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.634 |
| InChI Key: | QASRPFBCMHEBTB-HXUWFJFHSA-N |