methyl 2-amino-4-(5-bromo-2-ethoxyphenyl)-7-(dimethylamino)-4H-1-benzopyran-3-carboxylate
Chemical Structure Depiction of
methyl 2-amino-4-(5-bromo-2-ethoxyphenyl)-7-(dimethylamino)-4H-1-benzopyran-3-carboxylate
methyl 2-amino-4-(5-bromo-2-ethoxyphenyl)-7-(dimethylamino)-4H-1-benzopyran-3-carboxylate
Compound characteristics
Compound ID: | 5948-1099 |
Compound Name: | methyl 2-amino-4-(5-bromo-2-ethoxyphenyl)-7-(dimethylamino)-4H-1-benzopyran-3-carboxylate |
Molecular Weight: | 447.33 |
Molecular Formula: | C21 H23 Br N2 O4 |
Smiles: | CCOc1ccc(cc1C1C(=C(N)Oc2cc(ccc12)N(C)C)C(=O)OC)[Br] |
Stereo: | RACEMIC MIXTURE |
logP: | 4.7216 |
logD: | 4.7206 |
logSw: | -4.7159 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 60.426 |
InChI Key: | IOPHSCFJTQNVKJ-SFHVURJKSA-N |