2-{[2-(5H-dibenzo[b,f]azepin-5-yl)-2-oxoethyl]sulfanyl}-4,6-dimethylpyridine-3-carbonitrile
Chemical Structure Depiction of
2-{[2-(5H-dibenzo[b,f]azepin-5-yl)-2-oxoethyl]sulfanyl}-4,6-dimethylpyridine-3-carbonitrile
2-{[2-(5H-dibenzo[b,f]azepin-5-yl)-2-oxoethyl]sulfanyl}-4,6-dimethylpyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 8020-1978 |
| Compound Name: | 2-{[2-(5H-dibenzo[b,f]azepin-5-yl)-2-oxoethyl]sulfanyl}-4,6-dimethylpyridine-3-carbonitrile |
| Molecular Weight: | 397.5 |
| Molecular Formula: | C24 H19 N3 O S |
| Smiles: | Cc1cc(C)nc(c1C#N)SCC(N1c2ccccc2C=Cc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6473 |
| logD: | 4.6473 |
| logSw: | -4.5909 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.283 |
| InChI Key: | ROGKVDNUHUFXSF-UHFFFAOYSA-N |