methyl 2-amino-4-{5-bromo-2-[(prop-2-en-1-yl)oxy]phenyl}-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate
Chemical Structure Depiction of
methyl 2-amino-4-{5-bromo-2-[(prop-2-en-1-yl)oxy]phenyl}-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate
methyl 2-amino-4-{5-bromo-2-[(prop-2-en-1-yl)oxy]phenyl}-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate
Compound characteristics
| Compound ID: | 5983-0827 |
| Compound Name: | methyl 2-amino-4-{5-bromo-2-[(prop-2-en-1-yl)oxy]phenyl}-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate |
| Molecular Weight: | 434.29 |
| Molecular Formula: | C20 H20 Br N O5 |
| Smiles: | COC(C1C(C2=C(CCCC2=O)OC=1N)c1cc(ccc1OCC=C)[Br])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7839 |
| logD: | 3.7839 |
| logSw: | -4.2802 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.224 |
| InChI Key: | BHTHCBGAGRRECB-MRXNPFEDSA-N |