2-[6-amino-5-cyano-3-(4-methylphenyl)-1,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl 2-chlorobenzoate
Chemical Structure Depiction of
2-[6-amino-5-cyano-3-(4-methylphenyl)-1,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl 2-chlorobenzoate
2-[6-amino-5-cyano-3-(4-methylphenyl)-1,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl 2-chlorobenzoate
Compound characteristics
| Compound ID: | 4036-0530 |
| Compound Name: | 2-[6-amino-5-cyano-3-(4-methylphenyl)-1,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl 2-chlorobenzoate |
| Molecular Weight: | 482.93 |
| Molecular Formula: | C27 H19 Cl N4 O3 |
| Smiles: | Cc1ccc(cc1)c1c2C(C(C#N)=C(N)Oc2[nH]n1)c1ccccc1OC(c1ccccc1[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1555 |
| logD: | 5.1555 |
| logSw: | -5.4073 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 90.938 |
| InChI Key: | FRPWRBFKUARKOP-QFIPXVFZSA-N |