3-[4-{1-[(4-methoxyphenyl)methyl]-2-methyl-1H-indol-3-yl}-3,6-dihydropyridine-1(2H)-sulfonyl]benzonitrile
Chemical Structure Depiction of
3-[4-{1-[(4-methoxyphenyl)methyl]-2-methyl-1H-indol-3-yl}-3,6-dihydropyridine-1(2H)-sulfonyl]benzonitrile
3-[4-{1-[(4-methoxyphenyl)methyl]-2-methyl-1H-indol-3-yl}-3,6-dihydropyridine-1(2H)-sulfonyl]benzonitrile
Compound characteristics
| Compound ID: | F588-0303 |
| Compound Name: | 3-[4-{1-[(4-methoxyphenyl)methyl]-2-methyl-1H-indol-3-yl}-3,6-dihydropyridine-1(2H)-sulfonyl]benzonitrile |
| Molecular Weight: | 497.62 |
| Molecular Formula: | C29 H27 N3 O3 S |
| Smiles: | Cc1c(C2CCN(CC=2)S(c2cccc(C#N)c2)(=O)=O)c2ccccc2n1Cc1ccc(cc1)OC |
| Stereo: | ACHIRAL |
| logP: | 5.6151 |
| logD: | 5.6151 |
| logSw: | -5.9026 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.478 |
| InChI Key: | GUBSASRTYIGYEU-UHFFFAOYSA-N |