1-(3-{[2-(4-methoxyphenyl)-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-yl]amino}propyl)pyrrolidin-2-one
Chemical Structure Depiction of
1-(3-{[2-(4-methoxyphenyl)-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-yl]amino}propyl)pyrrolidin-2-one
1-(3-{[2-(4-methoxyphenyl)-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-yl]amino}propyl)pyrrolidin-2-one
Compound characteristics
| Compound ID: | C301-0576 |
| Compound Name: | 1-(3-{[2-(4-methoxyphenyl)-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-yl]amino}propyl)pyrrolidin-2-one |
| Molecular Weight: | 376.37 |
| Molecular Formula: | C16 H20 N6 O5 |
| Smiles: | COc1ccc(cc1)n1nc(c(NCCCN2CCCC2=O)[n+]1[O-])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 0.7951 |
| logD: | 0.7951 |
| logSw: | -1.9741 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 102.303 |
| InChI Key: | GYUWTCJRPFPDQX-UHFFFAOYSA-N |