6-amino-3-(2H-1,3-benzodioxol-5-yl)-4-(3-chloro-4-hydroxy-5-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-chloro-4-hydroxy-5-methoxyphenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
6-amino-3-(2H-1,3-benzodioxol-5-yl)-4-(3-chloro-4-hydroxy-5-methoxyphenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Compound characteristics
| Compound ID: | 8011-8990 |
| Compound Name: | 6-amino-3-(2H-1,3-benzodioxol-5-yl)-4-(3-chloro-4-hydroxy-5-methoxyphenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile |
| Molecular Weight: | 438.83 |
| Molecular Formula: | C21 H15 Cl N4 O5 |
| Smiles: | COc1cc(cc(c1O)[Cl])C1C(C#N)=C(N)Oc2c1c(c1ccc3c(c1)OCO3)n[nH]2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3096 |
| logD: | 3.2798 |
| logSw: | -3.7828 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 110.698 |
| InChI Key: | XZWGVQTUINJISY-INIZCTEOSA-N |