2-{(2S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl}-2,3-dihydro-1H-isoindol-1-one
Chemical Structure Depiction of
2-{(2S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl}-2,3-dihydro-1H-isoindol-1-one
2-{(2S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl}-2,3-dihydro-1H-isoindol-1-one
Compound characteristics
| Compound ID: | Y040-6029 |
| Compound Name: | 2-{(2S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl}-2,3-dihydro-1H-isoindol-1-one |
| Molecular Weight: | 407.51 |
| Molecular Formula: | C24 H29 N3 O3 |
| Smiles: | CC(C)[C@@H](C(N1CCN(CC1)c1cccc(c1)OC)=O)N1Cc2ccccc2C1=O |
| Stereo: | ABSOLUTE |
| logP: | 3.5485 |
| logD: | 3.5484 |
| logSw: | -3.6741 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 43.736 |
| InChI Key: | PZJXHYGPFCNUCV-QFIPXVFZSA-N |