2-methylpropyl 4-{[5-(6-amino-5-cyano-3-methyl-1,4-dihydropyrano[2,3-c]pyrazol-4-yl)-2-methoxyphenoxy]methyl}benzoate
Chemical Structure Depiction of
2-methylpropyl 4-{[5-(6-amino-5-cyano-3-methyl-1,4-dihydropyrano[2,3-c]pyrazol-4-yl)-2-methoxyphenoxy]methyl}benzoate
2-methylpropyl 4-{[5-(6-amino-5-cyano-3-methyl-1,4-dihydropyrano[2,3-c]pyrazol-4-yl)-2-methoxyphenoxy]methyl}benzoate
Compound characteristics
| Compound ID: | 4426-0983 |
| Compound Name: | 2-methylpropyl 4-{[5-(6-amino-5-cyano-3-methyl-1,4-dihydropyrano[2,3-c]pyrazol-4-yl)-2-methoxyphenoxy]methyl}benzoate |
| Molecular Weight: | 488.54 |
| Molecular Formula: | C27 H28 N4 O5 |
| Smiles: | CC(C)COC(c1ccc(COc2cc(ccc2OC)C2C(C#N)=C(N)Oc3c2c(C)n[nH]3)cc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.812 |
| logD: | 3.812 |
| logSw: | -4.3485 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 106.625 |
| InChI Key: | SBLXWNRFYGQEMT-DEOSSOPVSA-N |