{4-[5-(6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-methoxyphenyl]piperazin-1-yl}(5-nitrofuran-2-yl)methanone
Chemical Structure Depiction of
{4-[5-(6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-methoxyphenyl]piperazin-1-yl}(5-nitrofuran-2-yl)methanone
{4-[5-(6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-methoxyphenyl]piperazin-1-yl}(5-nitrofuran-2-yl)methanone
Compound characteristics
| Compound ID: | V011-9380 |
| Compound Name: | {4-[5-(6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-methoxyphenyl]piperazin-1-yl}(5-nitrofuran-2-yl)methanone |
| Molecular Weight: | 586.62 |
| Molecular Formula: | C27 H30 N4 O9 S |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1N1CCN(CC1)C(c1ccc([N+]([O-])=O)o1)=O)S(N1CCc2cc(c(cc2C1)OC)OC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2356 |
| logD: | 3.2356 |
| logSw: | -3.7923 |
| Hydrogen bond acceptors count: | 15 |
| Polar surface area: | 116.771 |
| InChI Key: | WVKMMJCGOHLQCM-UHFFFAOYSA-N |