methyl 4-[(4-nitrophenoxy)acetyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
Chemical Structure Depiction of
methyl 4-[(4-nitrophenoxy)acetyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
methyl 4-[(4-nitrophenoxy)acetyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
Compound characteristics
| Compound ID: | D075-0189 |
| Compound Name: | methyl 4-[(4-nitrophenoxy)acetyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate |
| Molecular Weight: | 372.33 |
| Molecular Formula: | C18 H16 N2 O7 |
| Smiles: | COC(C1CN(C(COc2ccc(cc2)[N+]([O-])=O)=O)c2ccccc2O1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4445 |
| logD: | 2.4445 |
| logSw: | -2.5505 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 84.079 |
| InChI Key: | FAIXQJZJFICGAG-MRXNPFEDSA-N |