{4-[5-(4-benzylpiperidine-1-sulfonyl)-2-methoxyphenyl]piperazin-1-yl}(5-nitrofuran-2-yl)methanone
Chemical Structure Depiction of
{4-[5-(4-benzylpiperidine-1-sulfonyl)-2-methoxyphenyl]piperazin-1-yl}(5-nitrofuran-2-yl)methanone
{4-[5-(4-benzylpiperidine-1-sulfonyl)-2-methoxyphenyl]piperazin-1-yl}(5-nitrofuran-2-yl)methanone
Compound characteristics
| Compound ID: | V006-5193 |
| Compound Name: | {4-[5-(4-benzylpiperidine-1-sulfonyl)-2-methoxyphenyl]piperazin-1-yl}(5-nitrofuran-2-yl)methanone |
| Molecular Weight: | 568.65 |
| Molecular Formula: | C28 H32 N4 O7 S |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1N1CCN(CC1)C(c1ccc([N+]([O-])=O)o1)=O)S(N1CCC(CC1)Cc1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7275 |
| logD: | 4.7275 |
| logSw: | -4.6967 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 101.576 |
| InChI Key: | YATSAPVGXDYMNJ-UHFFFAOYSA-N |