1-{4-[5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-methoxyphenyl]piperazin-1-yl}-2-ethylhexan-1-one
Chemical Structure Depiction of
1-{4-[5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-methoxyphenyl]piperazin-1-yl}-2-ethylhexan-1-one
1-{4-[5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-methoxyphenyl]piperazin-1-yl}-2-ethylhexan-1-one
Compound characteristics
| Compound ID: | V015-1626 |
| Compound Name: | 1-{4-[5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-methoxyphenyl]piperazin-1-yl}-2-ethylhexan-1-one |
| Molecular Weight: | 513.7 |
| Molecular Formula: | C28 H39 N3 O4 S |
| Salt: | not_available |
| Smiles: | CCCCC(CC)C(N1CCN(CC1)c1cc(ccc1OC)S(N1CCc2ccccc2C1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8105 |
| logD: | 5.8105 |
| logSw: | -5.409 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.121 |
| InChI Key: | XIJXQBVOAFRLIJ-QFIPXVFZSA-N |