1-(4-nitrobenzene-1-sulfonyl)-4-(3-phenylpropyl)piperazine--oxalic acid (1/1)
Chemical Structure Depiction of
1-(4-nitrobenzene-1-sulfonyl)-4-(3-phenylpropyl)piperazine--oxalic acid (1/1)
1-(4-nitrobenzene-1-sulfonyl)-4-(3-phenylpropyl)piperazine--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 4240-0104 |
| Compound Name: | 1-(4-nitrobenzene-1-sulfonyl)-4-(3-phenylpropyl)piperazine--oxalic acid (1/1) |
| Molecular Weight: | 479.51 |
| Molecular Formula: | C19 H23 N3 O4 S |
| Salt: | HOOCCOOH |
| Smiles: | C(Cc1ccccc1)CN1CCN(CC1)S(c1ccc(cc1)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4238 |
| logD: | 3.3901 |
| logSw: | -3.7923 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 68.85 |
| InChI Key: | CMJDIUGAIQMYEE-UHFFFAOYSA-N |