6-(5-{4-[(benzenesulfonyl)methyl]phenyl}-1,2,4-oxadiazol-3-yl)-3-methyl-1,3-benzoxazol-2(3H)-one
Chemical Structure Depiction of
6-(5-{4-[(benzenesulfonyl)methyl]phenyl}-1,2,4-oxadiazol-3-yl)-3-methyl-1,3-benzoxazol-2(3H)-one
6-(5-{4-[(benzenesulfonyl)methyl]phenyl}-1,2,4-oxadiazol-3-yl)-3-methyl-1,3-benzoxazol-2(3H)-one
Compound characteristics
| Compound ID: | M355-0057 |
| Compound Name: | 6-(5-{4-[(benzenesulfonyl)methyl]phenyl}-1,2,4-oxadiazol-3-yl)-3-methyl-1,3-benzoxazol-2(3H)-one |
| Molecular Weight: | 447.47 |
| Molecular Formula: | C23 H17 N3 O5 S |
| Smiles: | CN1C(=O)Oc2cc(ccc12)c1nc(c2ccc(CS(c3ccccc3)(=O)=O)cc2)on1 |
| Stereo: | ACHIRAL |
| logP: | 3.7296 |
| logD: | 3.7296 |
| logSw: | -4.0789 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 83.275 |
| InChI Key: | RTRXLFZCFUGRBI-UHFFFAOYSA-N |