6-chloro-1-{4-[5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-methoxyphenyl]piperazin-1-yl}hexan-1-one
Chemical Structure Depiction of
6-chloro-1-{4-[5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-methoxyphenyl]piperazin-1-yl}hexan-1-one
6-chloro-1-{4-[5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-methoxyphenyl]piperazin-1-yl}hexan-1-one
Compound characteristics
| Compound ID: | V010-3095 |
| Compound Name: | 6-chloro-1-{4-[5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-methoxyphenyl]piperazin-1-yl}hexan-1-one |
| Molecular Weight: | 520.09 |
| Molecular Formula: | C26 H34 Cl N3 O4 S |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1N1CCN(CC1)C(CCCCC[Cl])=O)S(N1CCc2ccccc2C1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5772 |
| logD: | 4.5772 |
| logSw: | -4.3585 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.593 |
| InChI Key: | SHBWUTBFDGSZEG-UHFFFAOYSA-N |