methyl 2-[3-(3-benzyl-2-oxo-1,3-diazinan-1-yl)benzamido]benzoate
Chemical Structure Depiction of
methyl 2-[3-(3-benzyl-2-oxo-1,3-diazinan-1-yl)benzamido]benzoate
methyl 2-[3-(3-benzyl-2-oxo-1,3-diazinan-1-yl)benzamido]benzoate
Compound characteristics
| Compound ID: | J077-1351 |
| Compound Name: | methyl 2-[3-(3-benzyl-2-oxo-1,3-diazinan-1-yl)benzamido]benzoate |
| Molecular Weight: | 443.5 |
| Molecular Formula: | C26 H25 N3 O4 |
| Smiles: | COC(c1ccccc1NC(c1cccc(c1)N1CCCN(Cc2ccccc2)C1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2599 |
| logD: | 4.1576 |
| logSw: | -4.3124 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.364 |
| InChI Key: | IQPPYBWLOHEFOO-UHFFFAOYSA-N |