ethyl 4-{4-[5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-methoxyphenyl]piperazin-1-yl}-4-oxobutanoate
Chemical Structure Depiction of
ethyl 4-{4-[5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-methoxyphenyl]piperazin-1-yl}-4-oxobutanoate
ethyl 4-{4-[5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-methoxyphenyl]piperazin-1-yl}-4-oxobutanoate
Compound characteristics
| Compound ID: | V014-6511 |
| Compound Name: | ethyl 4-{4-[5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-methoxyphenyl]piperazin-1-yl}-4-oxobutanoate |
| Molecular Weight: | 515.63 |
| Molecular Formula: | C26 H33 N3 O6 S |
| Salt: | not_available |
| Smiles: | CCOC(CCC(N1CCN(CC1)c1cc(ccc1OC)S(N1CCc2ccccc2C1)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3024 |
| logD: | 3.3024 |
| logSw: | -3.737 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 78.752 |
| InChI Key: | IGXYSWJZJJWJCY-UHFFFAOYSA-N |