6-{[2-(adamantan-1-yl)-2-oxoethyl]sulfanyl}[2,3'-bipyridine]-5-carbonitrile
Chemical Structure Depiction of
6-{[2-(adamantan-1-yl)-2-oxoethyl]sulfanyl}[2,3'-bipyridine]-5-carbonitrile
6-{[2-(adamantan-1-yl)-2-oxoethyl]sulfanyl}[2,3'-bipyridine]-5-carbonitrile
Compound characteristics
| Compound ID: | 8006-1350 |
| Compound Name: | 6-{[2-(adamantan-1-yl)-2-oxoethyl]sulfanyl}[2,3'-bipyridine]-5-carbonitrile |
| Molecular Weight: | 389.52 |
| Molecular Formula: | C23 H23 N3 O S |
| Smiles: | C1C2CC3CC1CC(C2)(C3)C(CSc1c(C#N)ccc(c2cccnc2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.154 |
| logD: | 5.0895 |
| logSw: | -5.153 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.297 |
| InChI Key: | RRELDCZNWXJLLG-UHFFFAOYSA-N |