methyl 4-(azepane-1-sulfonyl)-1,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 4-(azepane-1-sulfonyl)-1,5-dimethyl-1H-pyrrole-2-carboxylate
methyl 4-(azepane-1-sulfonyl)-1,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | F639-0061 |
| Compound Name: | methyl 4-(azepane-1-sulfonyl)-1,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 314.4 |
| Molecular Formula: | C14 H22 N2 O4 S |
| Smiles: | Cc1c(cc(C(=O)OC)n1C)S(N1CCCCCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5985 |
| logD: | 1.5985 |
| logSw: | -2.0468 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.487 |
| InChI Key: | MKYXLKHANWEXFF-UHFFFAOYSA-N |