1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(methanesulfonyl)-2-methyl-N-[(4-methylphenyl)methyl]-6-oxopiperazine-2-carboxamide
Chemical Structure Depiction of
1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(methanesulfonyl)-2-methyl-N-[(4-methylphenyl)methyl]-6-oxopiperazine-2-carboxamide
1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(methanesulfonyl)-2-methyl-N-[(4-methylphenyl)methyl]-6-oxopiperazine-2-carboxamide
Compound characteristics
| Compound ID: | E646-3818 |
| Compound Name: | 1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(methanesulfonyl)-2-methyl-N-[(4-methylphenyl)methyl]-6-oxopiperazine-2-carboxamide |
| Molecular Weight: | 473.55 |
| Molecular Formula: | C23 H27 N3 O6 S |
| Smiles: | Cc1ccc(CNC(C2(C)CN(CC(N2Cc2ccc3c(c2)OCO3)=O)S(C)(=O)=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.167 |
| logD: | 2.167 |
| logSw: | -2.9922 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.161 |
| InChI Key: | XDDCSDVPOXDWOE-QHCPKHFHSA-N |