2-bromo-N-[2-(ethanesulfonyl)-1,3-benzothiazol-6-yl]-5-methoxybenzamide
Chemical Structure Depiction of
2-bromo-N-[2-(ethanesulfonyl)-1,3-benzothiazol-6-yl]-5-methoxybenzamide
2-bromo-N-[2-(ethanesulfonyl)-1,3-benzothiazol-6-yl]-5-methoxybenzamide
Compound characteristics
Compound ID: | M073-0016 |
Compound Name: | 2-bromo-N-[2-(ethanesulfonyl)-1,3-benzothiazol-6-yl]-5-methoxybenzamide |
Molecular Weight: | 455.35 |
Molecular Formula: | C17 H15 Br N2 O4 S2 |
Smiles: | CCS(c1nc2ccc(cc2s1)NC(c1cc(ccc1[Br])OC)=O)(=O)=O |
Stereo: | ACHIRAL |
logP: | 3.9185 |
logD: | 3.9143 |
logSw: | -4.1498 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 69.405 |
InChI Key: | DTCDAVOQGSTJGO-UHFFFAOYSA-N |