3-chloro-N-(2,5-dimethoxyphenyl)-6-nitro-1-benzothiophene-2-carboxamide
Chemical Structure Depiction of
3-chloro-N-(2,5-dimethoxyphenyl)-6-nitro-1-benzothiophene-2-carboxamide
3-chloro-N-(2,5-dimethoxyphenyl)-6-nitro-1-benzothiophene-2-carboxamide
Compound characteristics
| Compound ID: | Y501-0860 |
| Compound Name: | 3-chloro-N-(2,5-dimethoxyphenyl)-6-nitro-1-benzothiophene-2-carboxamide |
| Molecular Weight: | 392.82 |
| Molecular Formula: | C17 H13 Cl N2 O5 S |
| Smiles: | COc1ccc(c(c1)NC(c1c(c2ccc(cc2s1)[N+]([O-])=O)[Cl])=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.5975 |
| logD: | 4.5677 |
| logSw: | -4.9649 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.934 |
| InChI Key: | QSRJQRBDJLLMIU-UHFFFAOYSA-N |