2-{[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-{[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}-5,6,7,8-tetrahydroquinoline-3-carbonitrile
2-{[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 3368-0664 |
| Compound Name: | 2-{[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}-5,6,7,8-tetrahydroquinoline-3-carbonitrile |
| Molecular Weight: | 407.49 |
| Molecular Formula: | C22 H21 N3 O3 S |
| Smiles: | CCOc1ccc(cc1)N1C(CC(C1=O)Sc1c(C#N)cc2CCCCc2n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4902 |
| logD: | 3.4902 |
| logSw: | -3.6786 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.506 |
| InChI Key: | HEXSHSFRTUARQJ-IBGZPJMESA-N |