4-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
Chemical Structure Depiction of
4-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
4-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
Compound characteristics
| Compound ID: | Y502-2943 |
| Compound Name: | 4-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide |
| Molecular Weight: | 372.38 |
| Molecular Formula: | C17 H20 N6 O4 |
| Smiles: | C1CC(N(C1)CCCNC(c1ccc(Cn2cnc(n2)[N+]([O-])=O)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.1254 |
| logD: | -0.1254 |
| logSw: | -2.059 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.401 |
| InChI Key: | MDNQSNJKXYTOLN-UHFFFAOYSA-N |