methyl [6-amino-5-cyano-4-(7-methoxy-2H-1,3-benzodioxol-5-yl)-2,4-dihydropyrano[2,3-c]pyrazol-3-yl]acetate
Chemical Structure Depiction of
methyl [6-amino-5-cyano-4-(7-methoxy-2H-1,3-benzodioxol-5-yl)-2,4-dihydropyrano[2,3-c]pyrazol-3-yl]acetate
methyl [6-amino-5-cyano-4-(7-methoxy-2H-1,3-benzodioxol-5-yl)-2,4-dihydropyrano[2,3-c]pyrazol-3-yl]acetate
Compound characteristics
| Compound ID: | 8019-8413 |
| Compound Name: | methyl [6-amino-5-cyano-4-(7-methoxy-2H-1,3-benzodioxol-5-yl)-2,4-dihydropyrano[2,3-c]pyrazol-3-yl]acetate |
| Molecular Weight: | 384.35 |
| Molecular Formula: | C18 H16 N4 O6 |
| Smiles: | COC(Cc1c2C(C(C#N)=C(N)Oc2n[nH]1)c1cc(c2c(c1)OCO2)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.2227 |
| logD: | 1.2227 |
| logSw: | -1.9433 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 116.249 |
| InChI Key: | CKEMDZVHOKNDRL-AWEZNQCLSA-N |