2-amino-4-[2-(benzyloxy)-5-bromophenyl]-7-hydroxy-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-[2-(benzyloxy)-5-bromophenyl]-7-hydroxy-4H-1-benzopyran-3-carbonitrile
2-amino-4-[2-(benzyloxy)-5-bromophenyl]-7-hydroxy-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 5983-1327 |
| Compound Name: | 2-amino-4-[2-(benzyloxy)-5-bromophenyl]-7-hydroxy-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 449.3 |
| Molecular Formula: | C23 H17 Br N2 O3 |
| Smiles: | C(c1ccccc1)Oc1ccc(cc1C1C(C#N)=C(N)Oc2cc(ccc12)O)[Br] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8504 |
| logD: | 4.8501 |
| logSw: | -4.9237 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 71.225 |
| InChI Key: | JVLVQKHHIPFLKQ-QFIPXVFZSA-N |