ethyl 4-(azepane-1-sulfonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 4-(azepane-1-sulfonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
ethyl 4-(azepane-1-sulfonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | F378-0061 |
| Compound Name: | ethyl 4-(azepane-1-sulfonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 328.43 |
| Molecular Formula: | C15 H24 N2 O4 S |
| Smiles: | CCOC(c1c(C)c(c(C)[nH]1)S(N1CCCCCC1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4195 |
| logD: | 2.4195 |
| logSw: | -2.3838 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.016 |
| InChI Key: | WBQAYGJEFQJQNY-UHFFFAOYSA-N |