2-{4-[5-(6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-methoxyphenyl]piperazine-1-sulfonyl}benzonitrile
Chemical Structure Depiction of
2-{4-[5-(6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-methoxyphenyl]piperazine-1-sulfonyl}benzonitrile
2-{4-[5-(6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-methoxyphenyl]piperazine-1-sulfonyl}benzonitrile
Compound characteristics
| Compound ID: | V001-4566 |
| Compound Name: | 2-{4-[5-(6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-methoxyphenyl]piperazine-1-sulfonyl}benzonitrile |
| Molecular Weight: | 612.72 |
| Molecular Formula: | C29 H32 N4 O7 S2 |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1N1CCN(CC1)S(c1ccccc1C#N)(=O)=O)S(N1CCc2cc(c(cc2C1)OC)OC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.83 |
| logD: | 3.83 |
| logSw: | -4.0326 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 106.229 |
| InChI Key: | RVMMJBGPHHDSOH-UHFFFAOYSA-N |