methyl 4-{4-[5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-methoxyphenyl]piperazin-1-yl}-4-oxobutanoate
Chemical Structure Depiction of
methyl 4-{4-[5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-methoxyphenyl]piperazin-1-yl}-4-oxobutanoate
methyl 4-{4-[5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-methoxyphenyl]piperazin-1-yl}-4-oxobutanoate
Compound characteristics
| Compound ID: | V015-1638 |
| Compound Name: | methyl 4-{4-[5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-methoxyphenyl]piperazin-1-yl}-4-oxobutanoate |
| Molecular Weight: | 501.6 |
| Molecular Formula: | C25 H31 N3 O6 S |
| Salt: | not_available |
| Smiles: | COC(CCC(N1CCN(CC1)c1cc(ccc1OC)S(N1CCc2ccccc2C1)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8458 |
| logD: | 2.8458 |
| logSw: | -3.4865 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 79.173 |
| InChI Key: | HSIRFVKJRLBMLO-UHFFFAOYSA-N |