6-amino-3-(4-bromophenyl)-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Chemical Structure Depiction of
6-amino-3-(4-bromophenyl)-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
6-amino-3-(4-bromophenyl)-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Compound characteristics
| Compound ID: | K638-0040 |
| Compound Name: | 6-amino-3-(4-bromophenyl)-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile |
| Molecular Weight: | 483.32 |
| Molecular Formula: | C22 H19 Br N4 O4 |
| Smiles: | COc1cc(cc(c1OC)OC)C1C(C#N)=C(N)Oc2c1c(c1ccc(cc1)[Br])n[nH]2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5675 |
| logD: | 3.5675 |
| logSw: | -3.9269 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 93.451 |
| InChI Key: | PUGHGANIJMLBJY-KRWDZBQOSA-N |