3-[4-(azepane-1-sulfonyl)phenyl]-N-[2-(pyrrolidin-1-yl)ethyl]-1,2,4-oxadiazole-5-carboxamide
Chemical Structure Depiction of
3-[4-(azepane-1-sulfonyl)phenyl]-N-[2-(pyrrolidin-1-yl)ethyl]-1,2,4-oxadiazole-5-carboxamide
3-[4-(azepane-1-sulfonyl)phenyl]-N-[2-(pyrrolidin-1-yl)ethyl]-1,2,4-oxadiazole-5-carboxamide
Compound characteristics
| Compound ID: | L307-1826 |
| Compound Name: | 3-[4-(azepane-1-sulfonyl)phenyl]-N-[2-(pyrrolidin-1-yl)ethyl]-1,2,4-oxadiazole-5-carboxamide |
| Molecular Weight: | 447.56 |
| Molecular Formula: | C21 H29 N5 O4 S |
| Smiles: | C1CCCN(CC1)S(c1ccc(cc1)c1nc(C(NCCN2CCCC2)=O)on1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6661 |
| logD: | 0.6128 |
| logSw: | -3.173 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.561 |
| InChI Key: | XTSAMVAZRBCJAZ-UHFFFAOYSA-N |