methyl 2-amino-4-(4-bromophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate
Chemical Structure Depiction of
methyl 2-amino-4-(4-bromophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate
methyl 2-amino-4-(4-bromophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate
Compound characteristics
| Compound ID: | 3132-0288 |
| Compound Name: | methyl 2-amino-4-(4-bromophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate |
| Molecular Weight: | 378.22 |
| Molecular Formula: | C17 H16 Br N O4 |
| Smiles: | COC(C1C(C2=C(CCCC2=O)OC=1N)c1ccc(cc1)[Br])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6845 |
| logD: | 2.6845 |
| logSw: | -2.9892 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.72 |
| InChI Key: | GJZDHTUBAAJVAB-CYBMUJFWSA-N |