1-methyl-3-(2-{4-[(4-methylphenyl)methyl]piperazin-1-yl}-2-oxoethyl)-1,4,5,6,7,7a-hexahydro-2H-indol-2-one
Chemical Structure Depiction of
1-methyl-3-(2-{4-[(4-methylphenyl)methyl]piperazin-1-yl}-2-oxoethyl)-1,4,5,6,7,7a-hexahydro-2H-indol-2-one
1-methyl-3-(2-{4-[(4-methylphenyl)methyl]piperazin-1-yl}-2-oxoethyl)-1,4,5,6,7,7a-hexahydro-2H-indol-2-one
Compound characteristics
| Compound ID: | S579-0255 |
| Compound Name: | 1-methyl-3-(2-{4-[(4-methylphenyl)methyl]piperazin-1-yl}-2-oxoethyl)-1,4,5,6,7,7a-hexahydro-2H-indol-2-one |
| Molecular Weight: | 381.52 |
| Molecular Formula: | C23 H31 N3 O2 |
| Smiles: | Cc1ccc(CN2CCN(CC2)C(CC2=C3CCCCC3N(C)C2=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2758 |
| logD: | 2.1809 |
| logSw: | -2.4112 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 35.951 |
| InChI Key: | IYLKIYBCBKNVEI-NRFANRHFSA-N |