6-amino-4-(6-bromo-2H-1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Chemical Structure Depiction of
6-amino-4-(6-bromo-2H-1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
6-amino-4-(6-bromo-2H-1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Compound characteristics
| Compound ID: | 8012-0150 |
| Compound Name: | 6-amino-4-(6-bromo-2H-1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile |
| Molecular Weight: | 467.28 |
| Molecular Formula: | C21 H15 Br N4 O4 |
| Smiles: | COc1ccc(cc1)c1c2C(C(C#N)=C(N)Oc2[nH]n1)c1cc2c(cc1[Br])OCO2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3702 |
| logD: | 3.3702 |
| logSw: | -3.6689 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 95.132 |
| InChI Key: | KRJYZIDYWFODBD-KRWDZBQOSA-N |