4-amino-N~3~-[(2H-1,3-benzodioxol-5-yl)methyl]-N~5~-[2-(3,4-dimethoxyphenyl)ethyl]-1,2-thiazole-3,5-dicarboxamide
Chemical Structure Depiction of
4-amino-N~3~-[(2H-1,3-benzodioxol-5-yl)methyl]-N~5~-[2-(3,4-dimethoxyphenyl)ethyl]-1,2-thiazole-3,5-dicarboxamide
4-amino-N~3~-[(2H-1,3-benzodioxol-5-yl)methyl]-N~5~-[2-(3,4-dimethoxyphenyl)ethyl]-1,2-thiazole-3,5-dicarboxamide
Compound characteristics
| Compound ID: | M050-0483 |
| Compound Name: | 4-amino-N~3~-[(2H-1,3-benzodioxol-5-yl)methyl]-N~5~-[2-(3,4-dimethoxyphenyl)ethyl]-1,2-thiazole-3,5-dicarboxamide |
| Molecular Weight: | 484.53 |
| Molecular Formula: | C23 H24 N4 O6 S |
| Smiles: | COc1ccc(CCNC(c2c(c(C(NCc3ccc4c(c3)OCO4)=O)ns2)N)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 1.8111 |
| logD: | 1.8111 |
| logSw: | -2.5534 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 111.931 |
| InChI Key: | KNOCWLJXUDTQPF-UHFFFAOYSA-N |