methyl 4-[6-amino-3-(5-chlorothiophen-2-yl)-5-cyano-1,4-dihydropyrano[2,3-c]pyrazol-4-yl]benzoate
Chemical Structure Depiction of
methyl 4-[6-amino-3-(5-chlorothiophen-2-yl)-5-cyano-1,4-dihydropyrano[2,3-c]pyrazol-4-yl]benzoate
methyl 4-[6-amino-3-(5-chlorothiophen-2-yl)-5-cyano-1,4-dihydropyrano[2,3-c]pyrazol-4-yl]benzoate
Compound characteristics
| Compound ID: | 8012-6675 |
| Compound Name: | methyl 4-[6-amino-3-(5-chlorothiophen-2-yl)-5-cyano-1,4-dihydropyrano[2,3-c]pyrazol-4-yl]benzoate |
| Molecular Weight: | 412.85 |
| Molecular Formula: | C19 H13 Cl N4 O3 S |
| Smiles: | COC(c1ccc(cc1)C1C(C#N)=C(N)Oc2c1c(c1ccc(s1)[Cl])n[nH]2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7012 |
| logD: | 3.7012 |
| logSw: | -4.7963 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 92.665 |
| InChI Key: | NSKLYFQNEZAPKD-AWEZNQCLSA-N |