6-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3,4-dihydro-2H-1,4-ethano-1,5-naphthyridine-7-carbonitrile
Chemical Structure Depiction of
6-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3,4-dihydro-2H-1,4-ethano-1,5-naphthyridine-7-carbonitrile
6-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3,4-dihydro-2H-1,4-ethano-1,5-naphthyridine-7-carbonitrile
Compound characteristics
| Compound ID: | 8017-2531 |
| Compound Name: | 6-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3,4-dihydro-2H-1,4-ethano-1,5-naphthyridine-7-carbonitrile |
| Molecular Weight: | 369.87 |
| Molecular Formula: | C19 H16 Cl N3 O S |
| Smiles: | C1CN2CCC1c1c2cc(C#N)c(n1)SCC(c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.4952 |
| logD: | 4.495 |
| logSw: | -4.7447 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.604 |
| InChI Key: | XHWBKQQMDQYHHR-UHFFFAOYSA-N |