2-amino-4-(3-bromo-4,5-dimethoxyphenyl)-4H-naphtho[1,2-b]pyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(3-bromo-4,5-dimethoxyphenyl)-4H-naphtho[1,2-b]pyran-3-carbonitrile
2-amino-4-(3-bromo-4,5-dimethoxyphenyl)-4H-naphtho[1,2-b]pyran-3-carbonitrile
Compound characteristics
Compound ID: | 8020-0262 |
Compound Name: | 2-amino-4-(3-bromo-4,5-dimethoxyphenyl)-4H-naphtho[1,2-b]pyran-3-carbonitrile |
Molecular Weight: | 437.29 |
Molecular Formula: | C22 H17 Br N2 O3 |
Smiles: | COc1cc(cc(c1OC)[Br])C1C(C#N)=C(N)Oc2c1ccc1ccccc12 |
Stereo: | RACEMIC MIXTURE |
logP: | 4.6739 |
logD: | 4.6739 |
logSw: | -5.4484 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 61.054 |
InChI Key: | HHZGLSMXFTXWJM-IBGZPJMESA-N |