6-amino-4-{2-[(3-bromophenyl)methoxy]phenyl}-3-methyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Chemical Structure Depiction of
6-amino-4-{2-[(3-bromophenyl)methoxy]phenyl}-3-methyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
6-amino-4-{2-[(3-bromophenyl)methoxy]phenyl}-3-methyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Compound characteristics
| Compound ID: | 8010-0147 |
| Compound Name: | 6-amino-4-{2-[(3-bromophenyl)methoxy]phenyl}-3-methyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile |
| Molecular Weight: | 437.29 |
| Molecular Formula: | C21 H17 Br N4 O2 |
| Smiles: | Cc1c2C(C(C#N)=C(N)Oc2[nH]n1)c1ccccc1OCc1cccc(c1)[Br] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9379 |
| logD: | 3.9379 |
| logSw: | -4.3294 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 77.865 |
| InChI Key: | NBQFFTFDFRTYKP-IBGZPJMESA-N |