2-[5-(naphthalen-1-yl)-2,3-dihydro-1,3,4-thiadiazol-2-yl]phenyl 4-methylbenzene-1-sulfonate
Chemical Structure Depiction of
2-[5-(naphthalen-1-yl)-2,3-dihydro-1,3,4-thiadiazol-2-yl]phenyl 4-methylbenzene-1-sulfonate
2-[5-(naphthalen-1-yl)-2,3-dihydro-1,3,4-thiadiazol-2-yl]phenyl 4-methylbenzene-1-sulfonate
Compound characteristics
| Compound ID: | 8006-7774 |
| Compound Name: | 2-[5-(naphthalen-1-yl)-2,3-dihydro-1,3,4-thiadiazol-2-yl]phenyl 4-methylbenzene-1-sulfonate |
| Molecular Weight: | 460.57 |
| Molecular Formula: | C25 H20 N2 O3 S2 |
| Smiles: | Cc1ccc(cc1)S(=O)(=O)Oc1ccccc1C1NN=C(c2cccc3ccccc23)S1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.1652 |
| logD: | 6.1631 |
| logSw: | -6.7549 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.873 |
| InChI Key: | UKPYEPCVAXXFQA-VWLOTQADSA-N |