6-amino-4-{3-[(3-chlorophenoxy)methyl]-4-methoxyphenyl}-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Chemical Structure Depiction of
6-amino-4-{3-[(3-chlorophenoxy)methyl]-4-methoxyphenyl}-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
6-amino-4-{3-[(3-chlorophenoxy)methyl]-4-methoxyphenyl}-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Compound characteristics
| Compound ID: | 3132-1154 |
| Compound Name: | 6-amino-4-{3-[(3-chlorophenoxy)methyl]-4-methoxyphenyl}-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile |
| Molecular Weight: | 422.87 |
| Molecular Formula: | C22 H19 Cl N4 O3 |
| Smiles: | Cc1c2C(C(C#N)=C(N)Oc2n[nH]1)c1ccc(c(COc2cccc(c2)[Cl])c1)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1062 |
| logD: | 4.1062 |
| logSw: | -4.8003 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 85.409 |
| InChI Key: | XJQCRGIETLTHLU-FQEVSTJZSA-N |