5-[4-(2-chloro-5-nitrobenzene-1-sulfonyl)piperazin-1-yl]-N-[(furan-2-yl)methyl]-2-nitroaniline
Chemical Structure Depiction of
5-[4-(2-chloro-5-nitrobenzene-1-sulfonyl)piperazin-1-yl]-N-[(furan-2-yl)methyl]-2-nitroaniline
5-[4-(2-chloro-5-nitrobenzene-1-sulfonyl)piperazin-1-yl]-N-[(furan-2-yl)methyl]-2-nitroaniline
Compound characteristics
| Compound ID: | 8014-0464 |
| Compound Name: | 5-[4-(2-chloro-5-nitrobenzene-1-sulfonyl)piperazin-1-yl]-N-[(furan-2-yl)methyl]-2-nitroaniline |
| Molecular Weight: | 521.93 |
| Molecular Formula: | C21 H20 Cl N5 O7 S |
| Smiles: | C(c1ccco1)Nc1cc(ccc1[N+]([O-])=O)N1CCN(CC1)S(c1cc(ccc1[Cl])[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1662 |
| logD: | 4.1662 |
| logSw: | -4.4138 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 118.957 |
| InChI Key: | YKQACVCFKUHMBP-UHFFFAOYSA-N |