4-({3-[4-(pyrrolidine-1-sulfonyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
4-({3-[4-(pyrrolidine-1-sulfonyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-2H-1,4-benzoxazin-3(4H)-one
4-({3-[4-(pyrrolidine-1-sulfonyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | F819-0148 |
| Compound Name: | 4-({3-[4-(pyrrolidine-1-sulfonyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 440.48 |
| Molecular Formula: | C21 H20 N4 O5 S |
| Smiles: | C1CCN(C1)S(c1ccc(cc1)c1nc(CN2C(COc3ccccc23)=O)on1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8101 |
| logD: | 2.8101 |
| logSw: | -3.5495 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 87.488 |
| InChI Key: | YPFJHVMUCSIAIC-UHFFFAOYSA-N |