4-(6-amino-5-cyano-3-methyl-1,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenyl 3,4-dichlorobenzoate
Chemical Structure Depiction of
4-(6-amino-5-cyano-3-methyl-1,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenyl 3,4-dichlorobenzoate
4-(6-amino-5-cyano-3-methyl-1,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenyl 3,4-dichlorobenzoate
Compound characteristics
| Compound ID: | 8011-2029 |
| Compound Name: | 4-(6-amino-5-cyano-3-methyl-1,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenyl 3,4-dichlorobenzoate |
| Molecular Weight: | 441.27 |
| Molecular Formula: | C21 H14 Cl2 N4 O3 |
| Smiles: | Cc1c2C(C(C#N)=C(N)Oc2[nH]n1)c1ccc(cc1)OC(c1ccc(c(c1)[Cl])[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7245 |
| logD: | 3.7245 |
| logSw: | -4.4778 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 90.929 |
| InChI Key: | IUCGHGGDIGZZRX-SFHVURJKSA-N |