6-amino-4-(4-methoxy-3-{[(pyridin-2-yl)sulfanyl]methyl}phenyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Chemical Structure Depiction of
6-amino-4-(4-methoxy-3-{[(pyridin-2-yl)sulfanyl]methyl}phenyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
6-amino-4-(4-methoxy-3-{[(pyridin-2-yl)sulfanyl]methyl}phenyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Compound characteristics
| Compound ID: | Y500-0463 |
| Compound Name: | 6-amino-4-(4-methoxy-3-{[(pyridin-2-yl)sulfanyl]methyl}phenyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile |
| Molecular Weight: | 467.55 |
| Molecular Formula: | C26 H21 N5 O2 S |
| Smiles: | COc1ccc(cc1CSc1ccccn1)C1C(C#N)=C(N)Oc2c1c(c1ccccc1)[nH]n2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2403 |
| logD: | 4.2403 |
| logSw: | -4.5205 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 86.241 |
| InChI Key: | QYSNUHCOKGOUDO-QFIPXVFZSA-N |