methyl 3-({5-[(4-nitro-1H-pyrazol-1-yl)methyl]furan-2-carbonyl}amino)thiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-({5-[(4-nitro-1H-pyrazol-1-yl)methyl]furan-2-carbonyl}amino)thiophene-2-carboxylate
methyl 3-({5-[(4-nitro-1H-pyrazol-1-yl)methyl]furan-2-carbonyl}amino)thiophene-2-carboxylate
Compound characteristics
| Compound ID: | Y500-3442 |
| Compound Name: | methyl 3-({5-[(4-nitro-1H-pyrazol-1-yl)methyl]furan-2-carbonyl}amino)thiophene-2-carboxylate |
| Molecular Weight: | 376.35 |
| Molecular Formula: | C15 H12 N4 O6 S |
| Smiles: | COC(c1c(ccs1)NC(c1ccc(Cn2cc(cn2)[N+]([O-])=O)o1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0099 |
| logD: | 1.799 |
| logSw: | -2.5197 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.552 |
| InChI Key: | DXTYXFVJPMKGDD-UHFFFAOYSA-N |