2-amino-4-(3-bromo-4-ethoxy-5-methoxyphenyl)-7-hydroxy-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(3-bromo-4-ethoxy-5-methoxyphenyl)-7-hydroxy-4H-1-benzopyran-3-carbonitrile
2-amino-4-(3-bromo-4-ethoxy-5-methoxyphenyl)-7-hydroxy-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 5983-1231 |
| Compound Name: | 2-amino-4-(3-bromo-4-ethoxy-5-methoxyphenyl)-7-hydroxy-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 417.26 |
| Molecular Formula: | C19 H17 Br N2 O4 |
| Smiles: | CCOc1c(cc(cc1[Br])C1C(C#N)=C(N)Oc2cc(ccc12)O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2862 |
| logD: | 3.2859 |
| logSw: | -3.4406 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 78.838 |
| InChI Key: | GBBWRGKLTRMWPP-KRWDZBQOSA-N |