5-(azepane-1-sulfonyl)-N-[(2,5-dimethoxyphenyl)methyl]thiophene-2-carboxamide
Chemical Structure Depiction of
5-(azepane-1-sulfonyl)-N-[(2,5-dimethoxyphenyl)methyl]thiophene-2-carboxamide
5-(azepane-1-sulfonyl)-N-[(2,5-dimethoxyphenyl)methyl]thiophene-2-carboxamide
Compound characteristics
| Compound ID: | F561-0428 |
| Compound Name: | 5-(azepane-1-sulfonyl)-N-[(2,5-dimethoxyphenyl)methyl]thiophene-2-carboxamide |
| Molecular Weight: | 438.56 |
| Molecular Formula: | C20 H26 N2 O5 S2 |
| Smiles: | COc1ccc(c(CNC(c2ccc(s2)S(N2CCCCCC2)(=O)=O)=O)c1)OC |
| Stereo: | ACHIRAL |
| logP: | 3.6192 |
| logD: | 3.6192 |
| logSw: | -3.8293 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.886 |
| InChI Key: | MCXRZHDVBSNSEK-UHFFFAOYSA-N |