4-(6-amino-5-cyano-3-methyl-1,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenyl benzoate
Chemical Structure Depiction of
4-(6-amino-5-cyano-3-methyl-1,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenyl benzoate
4-(6-amino-5-cyano-3-methyl-1,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenyl benzoate
Compound characteristics
| Compound ID: | 8010-0346 |
| Compound Name: | 4-(6-amino-5-cyano-3-methyl-1,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenyl benzoate |
| Molecular Weight: | 372.38 |
| Molecular Formula: | C21 H16 N4 O3 |
| Smiles: | Cc1c2C(C(C#N)=C(N)Oc2[nH]n1)c1ccc(cc1)OC(c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4556 |
| logD: | 2.4556 |
| logSw: | -2.8915 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 90.929 |
| InChI Key: | DKWWNBVEQMVVCO-SFHVURJKSA-N |