4-{4-[5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-methoxyphenyl]piperazine-1-carbonyl}benzonitrile
Chemical Structure Depiction of
4-{4-[5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-methoxyphenyl]piperazine-1-carbonyl}benzonitrile
4-{4-[5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-methoxyphenyl]piperazine-1-carbonyl}benzonitrile
Compound characteristics
| Compound ID: | V015-1266 |
| Compound Name: | 4-{4-[5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-methoxyphenyl]piperazine-1-carbonyl}benzonitrile |
| Molecular Weight: | 516.62 |
| Molecular Formula: | C28 H28 N4 O4 S |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1N1CCN(CC1)C(c1ccc(C#N)cc1)=O)S(N1CCc2ccccc2C1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9581 |
| logD: | 3.9581 |
| logSw: | -4.0886 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 75.906 |
| InChI Key: | DIEUODVOXCFCDX-UHFFFAOYSA-N |