(2S)-1-{4-[5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-methoxyphenyl]piperazin-1-yl}-1-oxopropan-2-yl acetate
Chemical Structure Depiction of
(2S)-1-{4-[5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-methoxyphenyl]piperazin-1-yl}-1-oxopropan-2-yl acetate
(2S)-1-{4-[5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-methoxyphenyl]piperazin-1-yl}-1-oxopropan-2-yl acetate
Compound characteristics
| Compound ID: | V006-0100 |
| Compound Name: | (2S)-1-{4-[5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-methoxyphenyl]piperazin-1-yl}-1-oxopropan-2-yl acetate |
| Molecular Weight: | 501.6 |
| Molecular Formula: | C25 H31 N3 O6 S |
| Salt: | not_available |
| Smiles: | CC(=O)O[C@@H](C)C(N1CCN(CC1)c1cc(ccc1OC)S(N1CCc2ccccc2C1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0822 |
| logD: | 3.0822 |
| logSw: | -3.5056 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 79.642 |
| InChI Key: | AOOUNDKPCULANS-SFHVURJKSA-N |