methyl 4-methyl-3-({5-[(4-nitro-1H-pyrazol-1-yl)methyl]furan-2-carbonyl}amino)benzoate
Chemical Structure Depiction of
methyl 4-methyl-3-({5-[(4-nitro-1H-pyrazol-1-yl)methyl]furan-2-carbonyl}amino)benzoate
methyl 4-methyl-3-({5-[(4-nitro-1H-pyrazol-1-yl)methyl]furan-2-carbonyl}amino)benzoate
Compound characteristics
| Compound ID: | Y509-3488 |
| Compound Name: | methyl 4-methyl-3-({5-[(4-nitro-1H-pyrazol-1-yl)methyl]furan-2-carbonyl}amino)benzoate |
| Molecular Weight: | 384.35 |
| Molecular Formula: | C18 H16 N4 O6 |
| Smiles: | Cc1ccc(cc1NC(c1ccc(Cn2cc(cn2)[N+]([O-])=O)o1)=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.6442 |
| logD: | 2.6441 |
| logSw: | -2.8926 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.534 |
| InChI Key: | DASXVPNFGQJQOQ-UHFFFAOYSA-N |