5-methyl-2-[4-(3-methylpiperidin-1-yl)-3-nitrophenyl]hexahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
5-methyl-2-[4-(3-methylpiperidin-1-yl)-3-nitrophenyl]hexahydro-1H-isoindole-1,3(2H)-dione
5-methyl-2-[4-(3-methylpiperidin-1-yl)-3-nitrophenyl]hexahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K807-0892 |
| Compound Name: | 5-methyl-2-[4-(3-methylpiperidin-1-yl)-3-nitrophenyl]hexahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 385.46 |
| Molecular Formula: | C21 H27 N3 O4 |
| Smiles: | CC1CCC2C(C1)C(N(C2=O)c1ccc(c(c1)[N+]([O-])=O)N1CCCC(C)C1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.4618 |
| logD: | 3.4618 |
| logSw: | -3.6827 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.238 |
| InChI Key: | CLGJXAVTTMWJIY-UHFFFAOYSA-N |