N-{2-[(4-bromobenzene-1-sulfonyl)amino]ethyl}-2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazole-4-carboxamide
Chemical Structure Depiction of
N-{2-[(4-bromobenzene-1-sulfonyl)amino]ethyl}-2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazole-4-carboxamide
N-{2-[(4-bromobenzene-1-sulfonyl)amino]ethyl}-2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazole-4-carboxamide
Compound characteristics
| Compound ID: | V011-7916 |
| Compound Name: | N-{2-[(4-bromobenzene-1-sulfonyl)amino]ethyl}-2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazole-4-carboxamide |
| Molecular Weight: | 524.45 |
| Molecular Formula: | C21 H22 Br N3 O4 S2 |
| Smiles: | Cc1cc(C)cc(c1)OCc1nc(cs1)C(NCCNS(c1ccc(cc1)[Br])(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7538 |
| logD: | 4.7537 |
| logSw: | -4.5423 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.093 |
| InChI Key: | XTVJUJRHIYBKSA-UHFFFAOYSA-N |