6-amino-3-(2H-1,3-benzodioxol-5-yl)-4-(3,5-dichloro-2-methoxyphenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Chemical Structure Depiction of
6-amino-3-(2H-1,3-benzodioxol-5-yl)-4-(3,5-dichloro-2-methoxyphenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
6-amino-3-(2H-1,3-benzodioxol-5-yl)-4-(3,5-dichloro-2-methoxyphenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Compound characteristics
| Compound ID: | 8012-0304 |
| Compound Name: | 6-amino-3-(2H-1,3-benzodioxol-5-yl)-4-(3,5-dichloro-2-methoxyphenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile |
| Molecular Weight: | 457.27 |
| Molecular Formula: | C21 H14 Cl2 N4 O4 |
| Smiles: | COc1c(cc(cc1[Cl])[Cl])C1C(C#N)=C(N)Oc2c1c(c1ccc3c(c1)OCO3)n[nH]2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2994 |
| logD: | 4.2993 |
| logSw: | -4.6426 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 95.306 |
| InChI Key: | HDSYOCHFRBAJBE-INIZCTEOSA-N |