2-{[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
Chemical Structure Depiction of
2-{[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
2-{[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 3076-0387 |
| Compound Name: | 2-{[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile |
| Molecular Weight: | 391.49 |
| Molecular Formula: | C22 H21 N3 O2 S |
| Smiles: | Cc1ccc(cc1)N1C(CC(C1=O)Sc1c(C#N)cc2CCCCCc2n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0406 |
| logD: | 4.0406 |
| logSw: | -4.2009 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 56.714 |
| InChI Key: | BUYXXNBDZBYWIR-IBGZPJMESA-N |