N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-5-bromo-2-chlorobenzamide
Chemical Structure Depiction of
N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-5-bromo-2-chlorobenzamide
N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-5-bromo-2-chlorobenzamide
Compound characteristics
| Compound ID: | 2154-0127 |
| Compound Name: | N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-5-bromo-2-chlorobenzamide |
| Molecular Weight: | 457.77 |
| Molecular Formula: | C21 H14 Br Cl N2 O S |
| Smiles: | Cc1ccc(cc1NC(c1cc(ccc1[Cl])[Br])=O)c1nc2ccccc2s1 |
| Stereo: | ACHIRAL |
| logP: | 6.7361 |
| logD: | 6.7336 |
| logSw: | -6.3481 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32.081 |
| InChI Key: | JBNDIBQRCDPVNQ-UHFFFAOYSA-N |