6-amino-4-{3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl}-3-methyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Chemical Structure Depiction of
6-amino-4-{3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl}-3-methyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
6-amino-4-{3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl}-3-methyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Compound characteristics
| Compound ID: | 4426-0981 |
| Compound Name: | 6-amino-4-{3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl}-3-methyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile |
| Molecular Weight: | 501.77 |
| Molecular Formula: | C22 H18 Br Cl N4 O3 |
| Smiles: | Cc1c2C(C(C#N)=C(N)Oc2[nH]n1)c1cc(c(c(c1)[Br])OCc1ccccc1[Cl])OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0809 |
| logD: | 4.0809 |
| logSw: | -4.543 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 85.582 |
| InChI Key: | KHHZMMXSWVLPCG-IBGZPJMESA-N |