N-[4-({4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl}amino)phenyl]acetamide
Chemical Structure Depiction of
N-[4-({4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl}amino)phenyl]acetamide
N-[4-({4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl}amino)phenyl]acetamide
Compound characteristics
| Compound ID: | L310-2545 |
| Compound Name: | N-[4-({4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl}amino)phenyl]acetamide |
| Molecular Weight: | 485.52 |
| Molecular Formula: | C22 H23 N5 O6 S |
| Smiles: | CCc1nc(CN2C(COc3cc(c(C)cc23)S(Nc2ccc(cc2)NC(C)=O)(=O)=O)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 2.1479 |
| logD: | 2.1433 |
| logSw: | -2.9171 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 120.585 |
| InChI Key: | LTYMSIAWGLYXTE-UHFFFAOYSA-N |