2-{[2-hydroxy-3-(morpholin-4-yl)propyl]sulfanyl}-4-phenyl-6-(thiophen-2-yl)pyridine-3-carbonitrile--oxalic acid (1/1)
Chemical Structure Depiction of
2-{[2-hydroxy-3-(morpholin-4-yl)propyl]sulfanyl}-4-phenyl-6-(thiophen-2-yl)pyridine-3-carbonitrile--oxalic acid (1/1)
2-{[2-hydroxy-3-(morpholin-4-yl)propyl]sulfanyl}-4-phenyl-6-(thiophen-2-yl)pyridine-3-carbonitrile--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 8009-4546 |
| Compound Name: | 2-{[2-hydroxy-3-(morpholin-4-yl)propyl]sulfanyl}-4-phenyl-6-(thiophen-2-yl)pyridine-3-carbonitrile--oxalic acid (1/1) |
| Molecular Weight: | 527.62 |
| Molecular Formula: | C23 H23 N3 O2 S2 |
| Salt: | HOOCCOOH |
| Smiles: | C1COCCN1CC(CSc1c(C#N)c(cc(c2cccs2)n1)c1ccccc1)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3458 |
| logD: | 4.3072 |
| logSw: | -4.3514 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.778 |
| InChI Key: | HXLYOZQOJUTWTR-SFHVURJKSA-N |