methyl 2-[4-(3-nitro-1H-1,2,4-triazol-1-yl)butanamido]benzoate
Chemical Structure Depiction of
methyl 2-[4-(3-nitro-1H-1,2,4-triazol-1-yl)butanamido]benzoate
methyl 2-[4-(3-nitro-1H-1,2,4-triazol-1-yl)butanamido]benzoate
Compound characteristics
| Compound ID: | C163-0465 |
| Compound Name: | methyl 2-[4-(3-nitro-1H-1,2,4-triazol-1-yl)butanamido]benzoate |
| Molecular Weight: | 333.3 |
| Molecular Formula: | C14 H15 N5 O5 |
| Smiles: | COC(c1ccccc1NC(CCCn1cnc(n1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.4003 |
| logD: | 0.328 |
| logSw: | -2.2983 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.238 |
| InChI Key: | VXHFPFICPMYYBO-UHFFFAOYSA-N |