N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{5-methyl-4-[(4-methylbenzene-1-sulfinyl)methyl]-1,3-oxazol-2-yl}benzamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{5-methyl-4-[(4-methylbenzene-1-sulfinyl)methyl]-1,3-oxazol-2-yl}benzamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{5-methyl-4-[(4-methylbenzene-1-sulfinyl)methyl]-1,3-oxazol-2-yl}benzamide
Compound characteristics
| Compound ID: | E776-1501 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{5-methyl-4-[(4-methylbenzene-1-sulfinyl)methyl]-1,3-oxazol-2-yl}benzamide |
| Molecular Weight: | 488.56 |
| Molecular Formula: | C27 H24 N2 O5 S |
| Smiles: | Cc1ccc(cc1)S(Cc1c(C)oc(c2ccc(cc2)C(NCc2ccc3c(c2)OCO3)=O)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4628 |
| logD: | 4.4628 |
| logSw: | -4.3092 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.03 |
| InChI Key: | UZPPOKHSPQRXKQ-UHFFFAOYSA-N |