4-[6-amino-5-cyano-3-(4-methylphenyl)-1,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl benzoate
Chemical Structure Depiction of
4-[6-amino-5-cyano-3-(4-methylphenyl)-1,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl benzoate
4-[6-amino-5-cyano-3-(4-methylphenyl)-1,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl benzoate
Compound characteristics
| Compound ID: | 4333-4018 |
| Compound Name: | 4-[6-amino-5-cyano-3-(4-methylphenyl)-1,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl benzoate |
| Molecular Weight: | 448.48 |
| Molecular Formula: | C27 H20 N4 O3 |
| Smiles: | Cc1ccc(cc1)c1c2C(C(C#N)=C(N)Oc2[nH]n1)c1ccc(cc1)OC(c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3524 |
| logD: | 4.3524 |
| logSw: | -4.5693 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 90.851 |
| InChI Key: | JAUXDYYJUFMACA-QFIPXVFZSA-N |