2-{[3-(ethoxycarbonyl)-4,5-dimethylthiophen-2-yl]carbamoyl}-6-nitrobenzoic acid
Chemical Structure Depiction of
2-{[3-(ethoxycarbonyl)-4,5-dimethylthiophen-2-yl]carbamoyl}-6-nitrobenzoic acid
2-{[3-(ethoxycarbonyl)-4,5-dimethylthiophen-2-yl]carbamoyl}-6-nitrobenzoic acid
Compound characteristics
| Compound ID: | 2222-0042 |
| Compound Name: | 2-{[3-(ethoxycarbonyl)-4,5-dimethylthiophen-2-yl]carbamoyl}-6-nitrobenzoic acid |
| Molecular Weight: | 392.39 |
| Molecular Formula: | C17 H16 N2 O7 S |
| Smiles: | CCOC(c1c(C)c(C)sc1NC(c1cccc(c1C(O)=O)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8205 |
| logD: | -3.3306 |
| logSw: | -3.6088 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 105.366 |
| InChI Key: | ZZXZKINXXMUZGZ-UHFFFAOYSA-N |