N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-bromo-4-methoxybenzamide
Chemical Structure Depiction of
N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-bromo-4-methoxybenzamide
N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-bromo-4-methoxybenzamide
Compound characteristics
| Compound ID: | 2154-0757 |
| Compound Name: | N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-bromo-4-methoxybenzamide |
| Molecular Weight: | 453.36 |
| Molecular Formula: | C22 H17 Br N2 O2 S |
| Smiles: | Cc1ccc(cc1NC(c1ccc(c(c1)[Br])OC)=O)c1nc2ccccc2s1 |
| Stereo: | ACHIRAL |
| logP: | 5.9442 |
| logD: | 5.9441 |
| logSw: | -5.5748 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.711 |
| InChI Key: | YPNQYKLPXFBYES-UHFFFAOYSA-N |