1-(2-nitrobenzene-1-sulfonyl)-4-[(thiophen-3-yl)methyl]piperazine--oxalic acid (1/1)
Chemical Structure Depiction of
1-(2-nitrobenzene-1-sulfonyl)-4-[(thiophen-3-yl)methyl]piperazine--oxalic acid (1/1)
1-(2-nitrobenzene-1-sulfonyl)-4-[(thiophen-3-yl)methyl]piperazine--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 4240-0002 |
| Compound Name: | 1-(2-nitrobenzene-1-sulfonyl)-4-[(thiophen-3-yl)methyl]piperazine--oxalic acid (1/1) |
| Molecular Weight: | 457.48 |
| Molecular Formula: | C15 H17 N3 O4 S2 |
| Salt: | HOOCCOOH |
| Smiles: | C1CN(CCN1Cc1ccsc1)S(c1ccccc1[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9826 |
| logD: | 1.93 |
| logSw: | -2.4137 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 69.589 |
| InChI Key: | NGQAIKFRTLKGBS-UHFFFAOYSA-N |