methyl 4,5-dimethyl-2-({5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carbonyl}amino)thiophene-3-carboxylate
Chemical Structure Depiction of
methyl 4,5-dimethyl-2-({5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carbonyl}amino)thiophene-3-carboxylate
methyl 4,5-dimethyl-2-({5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carbonyl}amino)thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 6228-2062 |
| Compound Name: | methyl 4,5-dimethyl-2-({5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carbonyl}amino)thiophene-3-carboxylate |
| Molecular Weight: | 444.46 |
| Molecular Formula: | C21 H20 N2 O7 S |
| Smiles: | Cc1ccc(c(c1)[N+]([O-])=O)OCc1ccc(C(Nc2c(C(=O)OC)c(C)c(C)s2)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 4.5336 |
| logD: | 1.4881 |
| logSw: | -4.5965 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.534 |
| InChI Key: | YLJUPKJJTGEWLP-UHFFFAOYSA-N |