N-(4-methoxy-6-{[3-(methylsulfanyl)phenyl]carbamamido}-1,3-benzothiazol-2-yl)benzamide
Chemical Structure Depiction of
N-(4-methoxy-6-{[3-(methylsulfanyl)phenyl]carbamamido}-1,3-benzothiazol-2-yl)benzamide
N-(4-methoxy-6-{[3-(methylsulfanyl)phenyl]carbamamido}-1,3-benzothiazol-2-yl)benzamide
Compound characteristics
| Compound ID: | F690-0839 |
| Compound Name: | N-(4-methoxy-6-{[3-(methylsulfanyl)phenyl]carbamamido}-1,3-benzothiazol-2-yl)benzamide |
| Molecular Weight: | 464.56 |
| Molecular Formula: | C23 H20 N4 O3 S2 |
| Smiles: | COc1cc(cc2c1nc(NC(c1ccccc1)=O)s2)NC(Nc1cccc(c1)SC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5828 |
| logD: | 5.5816 |
| logSw: | -5.5108 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 73.795 |
| InChI Key: | FCNUUDHXGNOIIR-UHFFFAOYSA-N |