N-[4-(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)-1,3-thiazol-2-yl]-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-[4-(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)-1,3-thiazol-2-yl]-2H-1,3-benzodioxole-5-carboxamide
N-[4-(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)-1,3-thiazol-2-yl]-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | F186-0819 |
| Compound Name: | N-[4-(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)-1,3-thiazol-2-yl]-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 469.52 |
| Molecular Formula: | C23 H23 N3 O6 S |
| Smiles: | COc1ccc(CCNC(Cc2csc(NC(c3ccc4c(c3)OCO4)=O)n2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.6163 |
| logD: | 2.6074 |
| logSw: | -3.2313 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.289 |
| InChI Key: | BPXFTVYUKBNDGH-UHFFFAOYSA-N |