2-{[(4-nitrophenyl)methyl]sulfanyl}-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
Chemical Structure Depiction of
2-{[(4-nitrophenyl)methyl]sulfanyl}-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
2-{[(4-nitrophenyl)methyl]sulfanyl}-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 3419-0082 |
| Compound Name: | 2-{[(4-nitrophenyl)methyl]sulfanyl}-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile |
| Molecular Weight: | 311.36 |
| Molecular Formula: | C16 H13 N3 O2 S |
| Smiles: | C1Cc2cc(C#N)c(nc2C1)SCc1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.7894 |
| logD: | 3.7894 |
| logSw: | -4.0558 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 60.939 |
| InChI Key: | HTOBICDXDJBZHW-UHFFFAOYSA-N |