N-[4-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-1,3-thiazol-2-yl]-3,4-dimethoxybenzamide
Chemical Structure Depiction of
N-[4-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-1,3-thiazol-2-yl]-3,4-dimethoxybenzamide
N-[4-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-1,3-thiazol-2-yl]-3,4-dimethoxybenzamide
Compound characteristics
| Compound ID: | F186-0506 |
| Compound Name: | N-[4-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-1,3-thiazol-2-yl]-3,4-dimethoxybenzamide |
| Molecular Weight: | 455.49 |
| Molecular Formula: | C22 H21 N3 O6 S |
| Smiles: | COc1ccc(cc1OC)C(Nc1nc(CC(NCc2ccc3c(c2)OCO3)=O)cs1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9394 |
| logD: | 2.9306 |
| logSw: | -3.4804 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.448 |
| InChI Key: | WGGDHNKAQWAFKA-UHFFFAOYSA-N |