4-[6-amino-3-(4-bromophenyl)-5-cyano-1,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2,6-dimethoxyphenyl benzoate
Chemical Structure Depiction of
4-[6-amino-3-(4-bromophenyl)-5-cyano-1,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2,6-dimethoxyphenyl benzoate
4-[6-amino-3-(4-bromophenyl)-5-cyano-1,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2,6-dimethoxyphenyl benzoate
Compound characteristics
| Compound ID: | K638-0045 |
| Compound Name: | 4-[6-amino-3-(4-bromophenyl)-5-cyano-1,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2,6-dimethoxyphenyl benzoate |
| Molecular Weight: | 573.4 |
| Molecular Formula: | C28 H21 Br N4 O5 |
| Smiles: | COc1cc(cc(c1OC(c1ccccc1)=O)OC)C1C(C#N)=C(N)Oc2c1c(c1ccc(cc1)[Br])n[nH]2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.759 |
| logD: | 4.7589 |
| logSw: | -4.7965 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 106.285 |
| InChI Key: | CVZWRAZCACFTLL-QFIPXVFZSA-N |