1-{4-[5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-methoxyphenyl]piperazin-1-yl}-2-(phenylsulfanyl)ethan-1-one
Chemical Structure Depiction of
1-{4-[5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-methoxyphenyl]piperazin-1-yl}-2-(phenylsulfanyl)ethan-1-one
1-{4-[5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-methoxyphenyl]piperazin-1-yl}-2-(phenylsulfanyl)ethan-1-one
Compound characteristics
| Compound ID: | V003-6766 |
| Compound Name: | 1-{4-[5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-methoxyphenyl]piperazin-1-yl}-2-(phenylsulfanyl)ethan-1-one |
| Molecular Weight: | 537.7 |
| Molecular Formula: | C28 H31 N3 O4 S2 |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1N1CCN(CC1)C(CSc1ccccc1)=O)S(N1CCc2ccccc2C1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7867 |
| logD: | 4.7867 |
| logSw: | -4.5618 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 58.322 |
| InChI Key: | OSGQCXGAZLINET-UHFFFAOYSA-N |