3-{4-[5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-methoxyphenyl]piperazine-1-carbonyl}benzonitrile
Chemical Structure Depiction of
3-{4-[5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-methoxyphenyl]piperazine-1-carbonyl}benzonitrile
3-{4-[5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-methoxyphenyl]piperazine-1-carbonyl}benzonitrile
Compound characteristics
| Compound ID: | V015-1661 |
| Compound Name: | 3-{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(c1cccc(C#N)c1)=O)S(N1CCc2ccccc2C1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8408 |
| logD: | 3.8408 |
| logSw: | -4.0713 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 75.906 |
| InChI Key: | OTKBCLGCDOKRJU-UHFFFAOYSA-N |