N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]-4-(pyrrolidine-1-sulfonyl)benzamide
Chemical Structure Depiction of
N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]-4-(pyrrolidine-1-sulfonyl)benzamide
N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]-4-(pyrrolidine-1-sulfonyl)benzamide
Compound characteristics
| Compound ID: | 2332-2377 |
| Compound Name: | N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]-4-(pyrrolidine-1-sulfonyl)benzamide |
| Molecular Weight: | 459.5 |
| Molecular Formula: | C19 H17 N5 O5 S2 |
| Smiles: | C1CCN(C1)S(c1ccc(cc1)C(Nc1nnc(c2cccc(c2)[N+]([O-])=O)s1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5243 |
| logD: | 3.5076 |
| logSw: | -3.8871 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 112.062 |
| InChI Key: | QGDRNMLCKMJOHW-UHFFFAOYSA-N |