4-{2-[5-amino-4-cyano-1-(2-hydroxyethyl)-1H-pyrazol-3-yl]-2-cyanoethenyl}-2-bromo-6-methoxyphenyl acetate
Chemical Structure Depiction of
4-{2-[5-amino-4-cyano-1-(2-hydroxyethyl)-1H-pyrazol-3-yl]-2-cyanoethenyl}-2-bromo-6-methoxyphenyl acetate
4-{2-[5-amino-4-cyano-1-(2-hydroxyethyl)-1H-pyrazol-3-yl]-2-cyanoethenyl}-2-bromo-6-methoxyphenyl acetate
Compound characteristics
| Compound ID: | 3601-1023 |
| Compound Name: | 4-{2-[5-amino-4-cyano-1-(2-hydroxyethyl)-1H-pyrazol-3-yl]-2-cyanoethenyl}-2-bromo-6-methoxyphenyl acetate |
| Molecular Weight: | 446.26 |
| Molecular Formula: | C18 H16 Br N5 O4 |
| Smiles: | CC(=O)Oc1c(cc(/C=C(C#N)/c2c(C#N)c(N)n(CCO)n2)cc1[Br])OC |
| Stereo: | ACHIRAL |
| logP: | 1.1404 |
| logD: | 1.1404 |
| logSw: | -1.7408 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 113.266 |
| InChI Key: | PCYRDODCLMYRNA-UHFFFAOYSA-N |