methyl 4-[6-amino-1-(3-chlorophenyl)-5-cyano-3-methyl-1,4-dihydropyrano[2,3-c]pyrazol-4-yl]benzoate
Chemical Structure Depiction of
methyl 4-[6-amino-1-(3-chlorophenyl)-5-cyano-3-methyl-1,4-dihydropyrano[2,3-c]pyrazol-4-yl]benzoate
methyl 4-[6-amino-1-(3-chlorophenyl)-5-cyano-3-methyl-1,4-dihydropyrano[2,3-c]pyrazol-4-yl]benzoate
Compound characteristics
| Compound ID: | 4478-7214 |
| Compound Name: | methyl 4-[6-amino-1-(3-chlorophenyl)-5-cyano-3-methyl-1,4-dihydropyrano[2,3-c]pyrazol-4-yl]benzoate |
| Molecular Weight: | 420.85 |
| Molecular Formula: | C22 H17 Cl N4 O3 |
| Smiles: | Cc1c2C(C(C#N)=C(N)Oc2n(c2cccc(c2)[Cl])n1)c1ccc(cc1)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8702 |
| logD: | 3.8702 |
| logSw: | -4.7905 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.49 |
| InChI Key: | QRJUOHPYKQJKRH-LJQANCHMSA-N |