3-(2-{4-[(3-chlorophenyl)methyl]piperazin-1-yl}-2-oxoethyl)-1-methyl-1,4,5,6,7,7a-hexahydro-2H-indol-2-one
Chemical Structure Depiction of
3-(2-{4-[(3-chlorophenyl)methyl]piperazin-1-yl}-2-oxoethyl)-1-methyl-1,4,5,6,7,7a-hexahydro-2H-indol-2-one
3-(2-{4-[(3-chlorophenyl)methyl]piperazin-1-yl}-2-oxoethyl)-1-methyl-1,4,5,6,7,7a-hexahydro-2H-indol-2-one
Compound characteristics
| Compound ID: | S579-0254 |
| Compound Name: | 3-(2-{4-[(3-chlorophenyl)methyl]piperazin-1-yl}-2-oxoethyl)-1-methyl-1,4,5,6,7,7a-hexahydro-2H-indol-2-one |
| Molecular Weight: | 401.94 |
| Molecular Formula: | C22 H28 Cl N3 O2 |
| Smiles: | CN1C2CCCCC2=C(CC(N2CCN(CC2)Cc2cccc(c2)[Cl])=O)C1=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5078 |
| logD: | 2.495 |
| logSw: | -3.0753 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 35.951 |
| InChI Key: | GSHKWQJTBVHFJI-HXUWFJFHSA-N |