{4-[5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-methoxyphenyl]piperazin-1-yl}[2-(trifluoromethoxy)phenyl]methanone
Chemical Structure Depiction of
{4-[5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-methoxyphenyl]piperazin-1-yl}[2-(trifluoromethoxy)phenyl]methanone
{4-[5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-methoxyphenyl]piperazin-1-yl}[2-(trifluoromethoxy)phenyl]methanone
Compound characteristics
| Compound ID: | V006-1616 |
| Compound Name: | {4-[5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-methoxyphenyl]piperazin-1-yl}[2-(trifluoromethoxy)phenyl]methanone |
| Molecular Weight: | 575.61 |
| Molecular Formula: | C28 H28 F3 N3 O5 S |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1N1CCN(CC1)C(c1ccccc1OC(F)(F)F)=O)S(N1CCc2ccccc2C1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4836 |
| logD: | 5.4836 |
| logSw: | -5.4901 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 64.873 |
| InChI Key: | YKILLRIJPZAAHD-UHFFFAOYSA-N |