N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{3-[(2-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}benzamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{3-[(2-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}benzamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{3-[(2-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}benzamide
Compound characteristics
| Compound ID: | J076-0084 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{3-[(2-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}benzamide |
| Molecular Weight: | 457.53 |
| Molecular Formula: | C27 H27 N3 O4 |
| Smiles: | Cc1ccccc1CN1CCCN(C1=O)c1ccc(cc1)C(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7315 |
| logD: | 4.7315 |
| logSw: | -4.4982 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.326 |
| InChI Key: | SOCMOCXKKVVMHM-UHFFFAOYSA-N |