5-{4-amino-2-[(2-fluorophenyl)methyl]-3-imino-5,5-dimethyl-1,2,4-triazolidin-1-yl}-2-nitrobenzene-1-sulfonic acid
Chemical Structure Depiction of
5-{4-amino-2-[(2-fluorophenyl)methyl]-3-imino-5,5-dimethyl-1,2,4-triazolidin-1-yl}-2-nitrobenzene-1-sulfonic acid
5-{4-amino-2-[(2-fluorophenyl)methyl]-3-imino-5,5-dimethyl-1,2,4-triazolidin-1-yl}-2-nitrobenzene-1-sulfonic acid
Compound characteristics
| Compound ID: | 2332-1656 |
| Compound Name: | 5-{4-amino-2-[(2-fluorophenyl)methyl]-3-imino-5,5-dimethyl-1,2,4-triazolidin-1-yl}-2-nitrobenzene-1-sulfonic acid |
| Molecular Weight: | 438.44 |
| Molecular Formula: | C17 H19 F N6 O5 S |
| Smiles: | CC1(C)N(C(=N)N(Cc2ccccc2F)N1c1ccc(c(c1)S(O)(=O)=O)[N+]([O-])=O)N |
| Stereo: | ACHIRAL |
| logP: | 0.0495 |
| logD: | 0.0495 |
| logSw: | -2.4485 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 117.555 |
| InChI Key: | VLAHHXGIQXJDEX-UHFFFAOYSA-N |