N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{3-[(4-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}benzamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{3-[(4-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}benzamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{3-[(4-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}benzamide
Compound characteristics
| Compound ID: | J076-0174 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{3-[(4-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}benzamide |
| Molecular Weight: | 457.53 |
| Molecular Formula: | C27 H27 N3 O4 |
| Smiles: | Cc1ccc(CN2CCCN(C2=O)c2ccc(cc2)C(NCc2ccc3c(c2)OCO3)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.2504 |
| logD: | 4.2504 |
| logSw: | -4.189 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.326 |
| InChI Key: | MYOYTLFKIAMCGD-UHFFFAOYSA-N |