methyl 4-(4-bromobenzoyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
Chemical Structure Depiction of
methyl 4-(4-bromobenzoyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
methyl 4-(4-bromobenzoyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
Compound characteristics
Compound ID: | D075-0160 |
Compound Name: | methyl 4-(4-bromobenzoyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate |
Molecular Weight: | 376.2 |
Molecular Formula: | C17 H14 Br N O4 |
Smiles: | COC(C1CN(C(c2ccc(cc2)[Br])=O)c2ccccc2O1)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 3.4751 |
logD: | 3.4751 |
logSw: | -3.6545 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 43.726 |
InChI Key: | IDULIYQJBDXRJG-OAHLLOKOSA-N |