N-{5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-4-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]cyclohexane-1-carboxamide
Chemical Structure Depiction of
N-{5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-4-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]cyclohexane-1-carboxamide
N-{5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-4-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | D757-0257 |
| Compound Name: | N-{5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-4-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]cyclohexane-1-carboxamide |
| Molecular Weight: | 476.6 |
| Molecular Formula: | C26 H28 N4 O3 S |
| Smiles: | COc1ccc(Cc2nnc(NC([C@@H]3CC[C@H](CC3)CN3Cc4ccccc4C3=O)=O)s2)cc1 |
| Stereo: | ABSOLUTE |
| logP: | 4.6869 |
| logD: | 4.6303 |
| logSw: | -4.5273 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.481 |
| InChI Key: | NIFILJFIZFUCLT-UHFFFAOYSA-N |