2-{[(4,4-diphenyl-4H-3,1-benzoxazin-2-yl)methyl]sulfanyl}-4,6-dimethylpyridine-3-carbonitrile
Chemical Structure Depiction of
2-{[(4,4-diphenyl-4H-3,1-benzoxazin-2-yl)methyl]sulfanyl}-4,6-dimethylpyridine-3-carbonitrile
2-{[(4,4-diphenyl-4H-3,1-benzoxazin-2-yl)methyl]sulfanyl}-4,6-dimethylpyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 8015-0678 |
| Compound Name: | 2-{[(4,4-diphenyl-4H-3,1-benzoxazin-2-yl)methyl]sulfanyl}-4,6-dimethylpyridine-3-carbonitrile |
| Molecular Weight: | 461.59 |
| Molecular Formula: | C29 H23 N3 O S |
| Smiles: | Cc1cc(C)nc(c1C#N)SCC1=Nc2ccccc2C(c2ccccc2)(c2ccccc2)O1 |
| Stereo: | ACHIRAL |
| logP: | 6.4487 |
| logD: | 6.4418 |
| logSw: | -5.9054 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.329 |
| InChI Key: | XVHNHSDWXODEOS-UHFFFAOYSA-N |