methyl 2-amino-4-(5-bromo-2-methoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate
Chemical Structure Depiction of
methyl 2-amino-4-(5-bromo-2-methoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate
methyl 2-amino-4-(5-bromo-2-methoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate
Compound characteristics
| Compound ID: | 5948-0646 |
| Compound Name: | methyl 2-amino-4-(5-bromo-2-methoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate |
| Molecular Weight: | 436.3 |
| Molecular Formula: | C20 H22 Br N O5 |
| Smiles: | CC1(C)CC2=C(C(C(=C(N)O2)C(=O)OC)c2cc(ccc2OC)[Br])C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5347 |
| logD: | 3.5347 |
| logSw: | -3.8206 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.35 |
| InChI Key: | IKEWAUXBYZCGRA-OAHLLOKOSA-N |