6-amino-4-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-3-(3-methoxyphenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Chemical Structure Depiction of
6-amino-4-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-3-(3-methoxyphenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
6-amino-4-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-3-(3-methoxyphenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Compound characteristics
| Compound ID: | 8019-9096 |
| Compound Name: | 6-amino-4-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-3-(3-methoxyphenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile |
| Molecular Weight: | 448.43 |
| Molecular Formula: | C23 H20 N4 O6 |
| Smiles: | COc1cccc(c1)c1c2C(C(C#N)=C(N)Oc2[nH]n1)c1cc(c2c(c1OC)OCO2)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6774 |
| logD: | 2.6774 |
| logSw: | -3.2036 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 109.848 |
| InChI Key: | KGFICNXWFJIHMH-MRXNPFEDSA-N |