methyl 2-(4-{3-[(2-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}benzamido)benzoate
Chemical Structure Depiction of
methyl 2-(4-{3-[(2-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}benzamido)benzoate
methyl 2-(4-{3-[(2-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}benzamido)benzoate
Compound characteristics
| Compound ID: | J076-0081 |
| Compound Name: | methyl 2-(4-{3-[(2-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}benzamido)benzoate |
| Molecular Weight: | 457.53 |
| Molecular Formula: | C27 H27 N3 O4 |
| Smiles: | Cc1ccccc1CN1CCCN(C1=O)c1ccc(cc1)C(Nc1ccccc1C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0753 |
| logD: | 4.6014 |
| logSw: | -4.6331 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.364 |
| InChI Key: | QRWBHMJCHSLTDD-UHFFFAOYSA-N |