5-[1-(naphthalene-2-sulfonyl)pyrrolidin-2-yl]-4-phenyl-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-[1-(naphthalene-2-sulfonyl)pyrrolidin-2-yl]-4-phenyl-4H-1,2,4-triazole-3-thiol
5-[1-(naphthalene-2-sulfonyl)pyrrolidin-2-yl]-4-phenyl-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 8017-0001 |
| Compound Name: | 5-[1-(naphthalene-2-sulfonyl)pyrrolidin-2-yl]-4-phenyl-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 436.55 |
| Molecular Formula: | C22 H20 N4 O2 S2 |
| Smiles: | C1CC(c2nnc(n2c2ccccc2)S)N(C1)S(c1ccc2ccccc2c1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7335 |
| logD: | 2.4742 |
| logSw: | -4.0342 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.734 |
| InChI Key: | DMKWIERUDAALAN-FQEVSTJZSA-N |