1-{4-[5-(6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-methoxyphenyl]piperazin-1-yl}-2,2,3,3-tetrafluoropropan-1-one
Chemical Structure Depiction of
1-{4-[5-(6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-methoxyphenyl]piperazin-1-yl}-2,2,3,3-tetrafluoropropan-1-one
1-{4-[5-(6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-methoxyphenyl]piperazin-1-yl}-2,2,3,3-tetrafluoropropan-1-one
Compound characteristics
| Compound ID: | V014-0305 |
| Compound Name: | 1-{4-[5-(6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-methoxyphenyl]piperazin-1-yl}-2,2,3,3-tetrafluoropropan-1-one |
| Molecular Weight: | 575.58 |
| Molecular Formula: | C25 H29 F4 N3 O6 S |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1N1CCN(CC1)C(C(C(F)F)(F)F)=O)S(N1CCc2cc(c(cc2C1)OC)OC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4995 |
| logD: | 3.4995 |
| logSw: | -3.9554 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 74.382 |
| InChI Key: | ZYDBNWJWBABSHM-UHFFFAOYSA-N |