propan-2-yl 4-{[6-(4-bromophenyl)-3-cyano-4-phenylpyridin-2-yl]sulfanyl}-3-oxobutanoate
Chemical Structure Depiction of
propan-2-yl 4-{[6-(4-bromophenyl)-3-cyano-4-phenylpyridin-2-yl]sulfanyl}-3-oxobutanoate
propan-2-yl 4-{[6-(4-bromophenyl)-3-cyano-4-phenylpyridin-2-yl]sulfanyl}-3-oxobutanoate
Compound characteristics
| Compound ID: | 8003-0408 |
| Compound Name: | propan-2-yl 4-{[6-(4-bromophenyl)-3-cyano-4-phenylpyridin-2-yl]sulfanyl}-3-oxobutanoate |
| Molecular Weight: | 509.42 |
| Molecular Formula: | C25 H21 Br N2 O3 S |
| Smiles: | CC(C)OC(CC(CSc1c(C#N)c(cc(c2ccc(cc2)[Br])n1)c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.5605 |
| logD: | 6.5605 |
| logSw: | -5.7369 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.092 |
| InChI Key: | UXNNUFVWUNXPHB-UHFFFAOYSA-N |