4-(5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-4-cyano-1,3-oxazol-2-yl)-N,N-dimethylbenzene-1-sulfonamide
Chemical Structure Depiction of
4-(5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-4-cyano-1,3-oxazol-2-yl)-N,N-dimethylbenzene-1-sulfonamide
4-(5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-4-cyano-1,3-oxazol-2-yl)-N,N-dimethylbenzene-1-sulfonamide
Compound characteristics
| Compound ID: | D434-0566 |
| Compound Name: | 4-(5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-4-cyano-1,3-oxazol-2-yl)-N,N-dimethylbenzene-1-sulfonamide |
| Molecular Weight: | 426.45 |
| Molecular Formula: | C20 H18 N4 O5 S |
| Smiles: | CN(C)S(c1ccc(cc1)c1nc(C#N)c(NCc2ccc3c(c2)OCO3)o1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6028 |
| logD: | 2.6028 |
| logSw: | -3.0692 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.057 |
| InChI Key: | LFJBREQPBRWZKI-UHFFFAOYSA-N |