3-{4-[2-(3-methylbutyl)-1-oxo-1,2-dihydroisoquinoline-4-carbonyl]piperazin-1-yl}-1lambda~6~-thiolane-1,1-dione
Chemical Structure Depiction of
3-{4-[2-(3-methylbutyl)-1-oxo-1,2-dihydroisoquinoline-4-carbonyl]piperazin-1-yl}-1lambda~6~-thiolane-1,1-dione
3-{4-[2-(3-methylbutyl)-1-oxo-1,2-dihydroisoquinoline-4-carbonyl]piperazin-1-yl}-1lambda~6~-thiolane-1,1-dione
Compound characteristics
| Compound ID: | Y041-4329 |
| Compound Name: | 3-{4-[2-(3-methylbutyl)-1-oxo-1,2-dihydroisoquinoline-4-carbonyl]piperazin-1-yl}-1lambda~6~-thiolane-1,1-dione |
| Molecular Weight: | 445.58 |
| Molecular Formula: | C23 H31 N3 O4 S |
| Smiles: | CC(C)CCN1C=C(C(N2CCN(CC2)C2CCS(C2)(=O)=O)=O)c2ccccc2C1=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.0489 |
| logD: | 1.0488 |
| logSw: | -2.3023 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 64.629 |
| InChI Key: | FGNRURBJYPDWTC-GOSISDBHSA-N |