6-amino-3-(4-bromophenyl)-4-(2,3-dimethoxyphenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Chemical Structure Depiction of
6-amino-3-(4-bromophenyl)-4-(2,3-dimethoxyphenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
6-amino-3-(4-bromophenyl)-4-(2,3-dimethoxyphenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Compound characteristics
| Compound ID: | K638-0039 |
| Compound Name: | 6-amino-3-(4-bromophenyl)-4-(2,3-dimethoxyphenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile |
| Molecular Weight: | 453.29 |
| Molecular Formula: | C21 H17 Br N4 O3 |
| Smiles: | COc1cccc(C2C(C#N)=C(N)Oc3c2c(c2ccc(cc2)[Br])n[nH]3)c1OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7066 |
| logD: | 3.7066 |
| logSw: | -4.3683 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 85.821 |
| InChI Key: | QBKCSNGVYKODLQ-INIZCTEOSA-N |