6-amino-4-{5-bromo-2-[(3-fluorophenyl)methoxy]phenyl}-3-methyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Chemical Structure Depiction of
6-amino-4-{5-bromo-2-[(3-fluorophenyl)methoxy]phenyl}-3-methyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
6-amino-4-{5-bromo-2-[(3-fluorophenyl)methoxy]phenyl}-3-methyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Compound characteristics
| Compound ID: | Y501-9240 |
| Compound Name: | 6-amino-4-{5-bromo-2-[(3-fluorophenyl)methoxy]phenyl}-3-methyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile |
| Molecular Weight: | 455.28 |
| Molecular Formula: | C21 H16 Br F N4 O2 |
| Smiles: | Cc1c2C(C(C#N)=C(N)Oc2[nH]n1)c1cc(ccc1OCc1cccc(c1)F)[Br] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2262 |
| logD: | 4.2262 |
| logSw: | -4.7046 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 77.865 |
| InChI Key: | MLGFESTVUUGUED-IBGZPJMESA-N |