1-[(2H-1,3-benzodioxol-5-yl)methyl]-N-[(4-fluorophenyl)methyl]-4-(methanesulfonyl)-2-methyl-6-oxopiperazine-2-carboxamide
Chemical Structure Depiction of
1-[(2H-1,3-benzodioxol-5-yl)methyl]-N-[(4-fluorophenyl)methyl]-4-(methanesulfonyl)-2-methyl-6-oxopiperazine-2-carboxamide
1-[(2H-1,3-benzodioxol-5-yl)methyl]-N-[(4-fluorophenyl)methyl]-4-(methanesulfonyl)-2-methyl-6-oxopiperazine-2-carboxamide
Compound characteristics
| Compound ID: | E646-3675 |
| Compound Name: | 1-[(2H-1,3-benzodioxol-5-yl)methyl]-N-[(4-fluorophenyl)methyl]-4-(methanesulfonyl)-2-methyl-6-oxopiperazine-2-carboxamide |
| Molecular Weight: | 477.51 |
| Molecular Formula: | C22 H24 F N3 O6 S |
| Smiles: | CC1(CN(CC(N1Cc1ccc2c(c1)OCO2)=O)S(C)(=O)=O)C(NCc1ccc(cc1)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7727 |
| logD: | 1.7726 |
| logSw: | -2.7581 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.161 |
| InChI Key: | LIGQZFRPDLAEGQ-QFIPXVFZSA-N |