3-{[4,5-dicyano-2-(morpholin-4-yl)phenyl]sulfanyl}propanoic acid
Chemical Structure Depiction of
3-{[4,5-dicyano-2-(morpholin-4-yl)phenyl]sulfanyl}propanoic acid
3-{[4,5-dicyano-2-(morpholin-4-yl)phenyl]sulfanyl}propanoic acid
Compound characteristics
| Compound ID: | 8017-4363 |
| Compound Name: | 3-{[4,5-dicyano-2-(morpholin-4-yl)phenyl]sulfanyl}propanoic acid |
| Molecular Weight: | 317.36 |
| Molecular Formula: | C15 H15 N3 O3 S |
| Smiles: | C(CSc1cc(C#N)c(C#N)cc1N1CCOCC1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.517 |
| logD: | -1.1529 |
| logSw: | -2.0399 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.795 |
| InChI Key: | DJUPOBLNXRNIHP-UHFFFAOYSA-N |