4-bromo-N-[4-(4-methoxy-3-nitrophenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
Chemical Structure Depiction of
4-bromo-N-[4-(4-methoxy-3-nitrophenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
4-bromo-N-[4-(4-methoxy-3-nitrophenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
Compound characteristics
Compound ID: | 0947-0121 |
Compound Name: | 4-bromo-N-[4-(4-methoxy-3-nitrophenyl)-5-methyl-1,3-thiazol-2-yl]benzamide |
Molecular Weight: | 448.29 |
Molecular Formula: | C18 H14 Br N3 O4 S |
Smiles: | Cc1c(c2ccc(c(c2)[N+]([O-])=O)OC)nc(NC(c2ccc(cc2)[Br])=O)s1 |
Stereo: | ACHIRAL |
logP: | 4.9513 |
logD: | 4.891 |
logSw: | -4.7963 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 74.586 |
InChI Key: | KKINRPOZKBTHOH-UHFFFAOYSA-N |