6-amino-3-(2H-1,3-benzodioxol-5-yl)-4-(4-chloro-3-nitrophenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Chemical Structure Depiction of
6-amino-3-(2H-1,3-benzodioxol-5-yl)-4-(4-chloro-3-nitrophenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
6-amino-3-(2H-1,3-benzodioxol-5-yl)-4-(4-chloro-3-nitrophenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Compound characteristics
| Compound ID: | 8012-3620 |
| Compound Name: | 6-amino-3-(2H-1,3-benzodioxol-5-yl)-4-(4-chloro-3-nitrophenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile |
| Molecular Weight: | 437.8 |
| Molecular Formula: | C20 H12 Cl N5 O5 |
| Smiles: | C1Oc2ccc(cc2O1)c1c2C(C(C#N)=C(N)Oc2[nH]n1)c1ccc(c(c1)[N+]([O-])=O)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2039 |
| logD: | 3.2039 |
| logSw: | -3.9825 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 120.669 |
| InChI Key: | HTMLJDFUPUBMSB-INIZCTEOSA-N |