N-{5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-4-(3-oxo-1,2-benzothiazol-2(3H)-yl)butanamide
Chemical Structure Depiction of
N-{5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-4-(3-oxo-1,2-benzothiazol-2(3H)-yl)butanamide
N-{5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-4-(3-oxo-1,2-benzothiazol-2(3H)-yl)butanamide
Compound characteristics
| Compound ID: | Y042-4168 |
| Compound Name: | N-{5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-4-(3-oxo-1,2-benzothiazol-2(3H)-yl)butanamide |
| Molecular Weight: | 440.54 |
| Molecular Formula: | C21 H20 N4 O3 S2 |
| Smiles: | COc1ccc(Cc2nnc(NC(CCCN3C(c4ccccc4S3)=O)=O)s2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.8538 |
| logD: | 2.8328 |
| logSw: | -3.6501 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.067 |
| InChI Key: | HFIJJPPMURCAQU-UHFFFAOYSA-N |