6-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-5-cyano-4-(4-methoxyphenyl)-2-methyl-N-phenylpyridine-3-carboxamide
Chemical Structure Depiction of
6-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-5-cyano-4-(4-methoxyphenyl)-2-methyl-N-phenylpyridine-3-carboxamide
6-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-5-cyano-4-(4-methoxyphenyl)-2-methyl-N-phenylpyridine-3-carboxamide
Compound characteristics
| Compound ID: | 2188-0700 |
| Compound Name: | 6-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-5-cyano-4-(4-methoxyphenyl)-2-methyl-N-phenylpyridine-3-carboxamide |
| Molecular Weight: | 587.49 |
| Molecular Formula: | C29 H23 Br N4 O3 S |
| Smiles: | Cc1c(C(Nc2ccccc2)=O)c(c2ccc(cc2)OC)c(C#N)c(n1)SCC(Nc1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 6.5274 |
| logD: | 6.5269 |
| logSw: | -5.8077 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.86 |
| InChI Key: | DKFXKBSFOABJTI-UHFFFAOYSA-N |