methyl 4-[(2,4-dichlorophenoxy)acetyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
Chemical Structure Depiction of
methyl 4-[(2,4-dichlorophenoxy)acetyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
methyl 4-[(2,4-dichlorophenoxy)acetyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
Compound characteristics
| Compound ID: | D075-0169 |
| Compound Name: | methyl 4-[(2,4-dichlorophenoxy)acetyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate |
| Molecular Weight: | 396.22 |
| Molecular Formula: | C18 H15 Cl2 N O5 |
| Smiles: | COC(C1CN(C(COc2ccc(cc2[Cl])[Cl])=O)c2ccccc2O1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5263 |
| logD: | 3.5263 |
| logSw: | -3.7283 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.784 |
| InChI Key: | VQMQOFYEBJTWIF-MRXNPFEDSA-N |