N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(4-chloro-3-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(4-chloro-3-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(4-chloro-3-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
Compound characteristics
| Compound ID: | V017-5349 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(4-chloro-3-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide |
| Molecular Weight: | 416.88 |
| Molecular Formula: | C20 H17 Cl N2 O4 S |
| Smiles: | Cc1cc(ccc1[Cl])OCc1nc(cs1)C(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9676 |
| logD: | 4.9676 |
| logSw: | -5.0467 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.495 |
| InChI Key: | IQPRYFZLMNQXBC-UHFFFAOYSA-N |