2-{4-[5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-methoxyphenyl]piperazin-1-yl}-2-oxoethyl acetate
Chemical Structure Depiction of
2-{4-[5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-methoxyphenyl]piperazin-1-yl}-2-oxoethyl acetate
2-{4-[5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-methoxyphenyl]piperazin-1-yl}-2-oxoethyl acetate
Compound characteristics
| Compound ID: | V007-0653 |
| Compound Name: | 2-{4-[5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-methoxyphenyl]piperazin-1-yl}-2-oxoethyl acetate |
| Molecular Weight: | 487.57 |
| Molecular Formula: | C24 H29 N3 O6 S |
| Smiles: | CC(=O)OCC(N1CCN(CC1)c1cc(ccc1OC)S(N1CCc2ccccc2C1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5419 |
| logD: | 2.5419 |
| logSw: | -2.7662 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 79.824 |
| InChI Key: | RVXFUBJESTXCNK-UHFFFAOYSA-N |