N-[4-(3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]-3-nitro-4-(pyrrolidin-1-yl)benzamide
Chemical Structure Depiction of
N-[4-(3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]-3-nitro-4-(pyrrolidin-1-yl)benzamide
N-[4-(3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]-3-nitro-4-(pyrrolidin-1-yl)benzamide
Compound characteristics
| Compound ID: | F019-5697 |
| Compound Name: | N-[4-(3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]-3-nitro-4-(pyrrolidin-1-yl)benzamide |
| Molecular Weight: | 463.52 |
| Molecular Formula: | C22 H21 N7 O3 S |
| Smiles: | CCc1nnc2n1nc(c1ccc(cc1)NC(c1ccc(c(c1)[N+]([O-])=O)N1CCCC1)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 3.5611 |
| logD: | 3.5606 |
| logSw: | -3.998 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.659 |
| InChI Key: | MKMZKBXMAHIPNA-UHFFFAOYSA-N |