6-amino-4-(6-bromo-2H-1,3-benzodioxol-5-yl)-3-(4-butoxyphenyl)-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-butoxyphenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
6-amino-4-(6-bromo-2H-1,3-benzodioxol-5-yl)-3-(4-butoxyphenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Compound characteristics
| Compound ID: | 8012-0225 |
| Compound Name: | 6-amino-4-(6-bromo-2H-1,3-benzodioxol-5-yl)-3-(4-butoxyphenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile |
| Molecular Weight: | 509.36 |
| Molecular Formula: | C24 H21 Br N4 O4 |
| Smiles: | CCCCOc1ccc(cc1)c1c2C(C(C#N)=C(N)Oc2[nH]n1)c1cc2c(cc1[Br])OCO2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8202 |
| logD: | 4.8202 |
| logSw: | -4.6521 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 95.006 |
| InChI Key: | ACAYIOJPTGPPMG-FQEVSTJZSA-N |