3-(3-{[4-(4-methylpiperidine-1-sulfonyl)-1H-imidazol-1-yl]methyl}-1,2,4-oxadiazol-5-yl)-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-(3-{[4-(4-methylpiperidine-1-sulfonyl)-1H-imidazol-1-yl]methyl}-1,2,4-oxadiazol-5-yl)-2H-1-benzopyran-2-one
3-(3-{[4-(4-methylpiperidine-1-sulfonyl)-1H-imidazol-1-yl]methyl}-1,2,4-oxadiazol-5-yl)-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | L697-0698 |
| Compound Name: | 3-(3-{[4-(4-methylpiperidine-1-sulfonyl)-1H-imidazol-1-yl]methyl}-1,2,4-oxadiazol-5-yl)-2H-1-benzopyran-2-one |
| Molecular Weight: | 455.49 |
| Molecular Formula: | C21 H21 N5 O5 S |
| Smiles: | CC1CCN(CC1)S(c1cn(Cc2nc(C3=Cc4ccccc4OC3=O)on2)cn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3145 |
| logD: | 2.3145 |
| logSw: | -2.7239 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 97.377 |
| InChI Key: | PFMUUOZPBXOLOZ-UHFFFAOYSA-N |