4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-6-(4-methylpiperazine-1-sulfonyl)-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-6-(4-methylpiperazine-1-sulfonyl)-2H-1,4-benzoxazin-3(4H)-one
4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-6-(4-methylpiperazine-1-sulfonyl)-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | L309-0505 |
| Compound Name: | 4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-6-(4-methylpiperazine-1-sulfonyl)-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 421.47 |
| Molecular Formula: | C18 H23 N5 O5 S |
| Smiles: | CCc1nc(CN2C(COc3ccc(cc23)S(N2CCN(C)CC2)(=O)=O)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 0.9458 |
| logD: | 0.8832 |
| logSw: | -2.4009 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 91.861 |
| InChI Key: | HMOJMUWLUABUDH-UHFFFAOYSA-N |