1-{4-[5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-methoxyphenyl]piperazin-1-yl}-2-phenoxyethan-1-one
Chemical Structure Depiction of
1-{4-[5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-methoxyphenyl]piperazin-1-yl}-2-phenoxyethan-1-one
1-{4-[5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-methoxyphenyl]piperazin-1-yl}-2-phenoxyethan-1-one
Compound characteristics
| Compound ID: | V006-7710 |
| Compound Name: | 1-{4-[5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-methoxyphenyl]piperazin-1-yl}-2-phenoxyethan-1-one |
| Molecular Weight: | 521.64 |
| Molecular Formula: | C28 H31 N3 O5 S |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1N1CCN(CC1)C(COc1ccccc1)=O)S(N1CCc2ccccc2C1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0563 |
| logD: | 4.0563 |
| logSw: | -4.1308 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.821 |
| InChI Key: | HCFSSVBRLKBGQF-UHFFFAOYSA-N |