methyl 4-(4-chlorobenzoyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
Chemical Structure Depiction of
methyl 4-(4-chlorobenzoyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
methyl 4-(4-chlorobenzoyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
Compound characteristics
| Compound ID: | D075-0158 |
| Compound Name: | methyl 4-(4-chlorobenzoyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate |
| Molecular Weight: | 331.75 |
| Molecular Formula: | C17 H14 Cl N O4 |
| Smiles: | COC(C1CN(C(c2ccc(cc2)[Cl])=O)c2ccccc2O1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.236 |
| logD: | 3.236 |
| logSw: | -3.7638 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 43.726 |
| InChI Key: | XGYVCXIYGNLGKM-OAHLLOKOSA-N |