1-(3-{[2-(4-chlorophenyl)-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-chlorophenyl)-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-yl]amino}propyl)pyrrolidin-2-one
1-(3-{[2-(4-chlorophenyl)-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-yl]amino}propyl)pyrrolidin-2-one
Compound characteristics
| Compound ID: | C301-0853 |
| Compound Name: | 1-(3-{[2-(4-chlorophenyl)-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-yl]amino}propyl)pyrrolidin-2-one |
| Molecular Weight: | 380.79 |
| Molecular Formula: | C15 H17 Cl N6 O4 |
| Smiles: | C1CC(N(C1)CCCNc1c(nn(c2ccc(cc2)[Cl])[n+]1[O-])[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4075 |
| logD: | 1.4075 |
| logSw: | -2.7433 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.759 |
| InChI Key: | NYLDCFGDJUFZCO-UHFFFAOYSA-N |