{4-[5-(6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-methoxyphenyl]piperazin-1-yl}(2,5-dimethylfuran-3-yl)methanone
Chemical Structure Depiction of
{4-[5-(6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-methoxyphenyl]piperazin-1-yl}(2,5-dimethylfuran-3-yl)methanone
{4-[5-(6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-methoxyphenyl]piperazin-1-yl}(2,5-dimethylfuran-3-yl)methanone
Compound characteristics
| Compound ID: | V014-0317 |
| Compound Name: | {4-[5-(6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-methoxyphenyl]piperazin-1-yl}(2,5-dimethylfuran-3-yl)methanone |
| Molecular Weight: | 569.68 |
| Molecular Formula: | C29 H35 N3 O7 S |
| Salt: | not_available |
| Smiles: | Cc1cc(C(N2CCN(CC2)c2cc(ccc2OC)S(N2CCc3cc(c(cc3C2)OC)OC)(=O)=O)=O)c(C)o1 |
| Stereo: | ACHIRAL |
| logP: | 3.89 |
| logD: | 3.89 |
| logSw: | -3.9608 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 81.857 |
| InChI Key: | QBCUQXXXEXNFKM-UHFFFAOYSA-N |