{4-[5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-methoxyphenyl]piperazin-1-yl}(2,5-dimethylfuran-3-yl)methanone
Chemical Structure Depiction of
{4-[5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-methoxyphenyl]piperazin-1-yl}(2,5-dimethylfuran-3-yl)methanone
{4-[5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-methoxyphenyl]piperazin-1-yl}(2,5-dimethylfuran-3-yl)methanone
Compound characteristics
| Compound ID: | V006-1651 |
| Compound Name: | {4-[5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-methoxyphenyl]piperazin-1-yl}(2,5-dimethylfuran-3-yl)methanone |
| Molecular Weight: | 509.62 |
| Molecular Formula: | C27 H31 N3 O5 S |
| Salt: | not_available |
| Smiles: | Cc1cc(C(N2CCN(CC2)c2cc(ccc2OC)S(N2CCc3ccccc3C2)(=O)=O)=O)c(C)o1 |
| Stereo: | ACHIRAL |
| logP: | 4.3064 |
| logD: | 4.3064 |
| logSw: | -4.2875 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.596 |
| InChI Key: | XOFNWBLTGWUYKX-UHFFFAOYSA-N |