N~2~-{2-[4-(3-{[(furan-2-yl)methyl]amino}-4-nitrophenyl)piperazine-1-sulfonyl]-4-nitrophenyl}-N~1~,N~1~-dimethylethane-1,2-diamine
Chemical Structure Depiction of
N~2~-{2-[4-(3-{[(furan-2-yl)methyl]amino}-4-nitrophenyl)piperazine-1-sulfonyl]-4-nitrophenyl}-N~1~,N~1~-dimethylethane-1,2-diamine
N~2~-{2-[4-(3-{[(furan-2-yl)methyl]amino}-4-nitrophenyl)piperazine-1-sulfonyl]-4-nitrophenyl}-N~1~,N~1~-dimethylethane-1,2-diamine
Compound characteristics
| Compound ID: | 8014-0469 |
| Compound Name: | N~2~-{2-[4-(3-{[(furan-2-yl)methyl]amino}-4-nitrophenyl)piperazine-1-sulfonyl]-4-nitrophenyl}-N~1~,N~1~-dimethylethane-1,2-diamine |
| Molecular Weight: | 573.63 |
| Molecular Formula: | C25 H31 N7 O7 S |
| Smiles: | CN(C)CCNc1ccc(cc1S(N1CCN(CC1)c1ccc(c(c1)NCc1ccco1)[N+]([O-])=O)(=O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.6267 |
| logD: | 2.6232 |
| logSw: | -3.9874 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 132.473 |
| InChI Key: | OWUDLCXTOJZAKA-UHFFFAOYSA-N |