N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-bromo-5-(propan-2-yl)-1,3-thiazole-4-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-bromo-5-(propan-2-yl)-1,3-thiazole-4-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-bromo-5-(propan-2-yl)-1,3-thiazole-4-carboxamide
Compound characteristics
| Compound ID: | Y041-8859 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-bromo-5-(propan-2-yl)-1,3-thiazole-4-carboxamide |
| Molecular Weight: | 383.26 |
| Molecular Formula: | C15 H15 Br N2 O3 S |
| Smiles: | CC(C)c1c(C(NCc2ccc3c(c2)OCO3)=O)nc(s1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.9036 |
| logD: | 3.9036 |
| logSw: | -3.9671 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.893 |
| InChI Key: | MQERFVUJRUHWKE-UHFFFAOYSA-N |