6-{[(4-nitrophenyl)methyl]sulfanyl}-3,4-dihydro-2H-1,4-ethano-1,5-naphthyridine-7-carbonitrile
Chemical Structure Depiction of
6-{[(4-nitrophenyl)methyl]sulfanyl}-3,4-dihydro-2H-1,4-ethano-1,5-naphthyridine-7-carbonitrile
6-{[(4-nitrophenyl)methyl]sulfanyl}-3,4-dihydro-2H-1,4-ethano-1,5-naphthyridine-7-carbonitrile
Compound characteristics
| Compound ID: | 8005-2577 |
| Compound Name: | 6-{[(4-nitrophenyl)methyl]sulfanyl}-3,4-dihydro-2H-1,4-ethano-1,5-naphthyridine-7-carbonitrile |
| Molecular Weight: | 352.41 |
| Molecular Formula: | C18 H16 N4 O2 S |
| Smiles: | C1CN2CCC1c1c2cc(C#N)c(n1)SCc1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.0234 |
| logD: | 4.0233 |
| logSw: | -4.2079 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 62.739 |
| InChI Key: | UIWDHHHHRYVGIP-UHFFFAOYSA-N |