1-(4-methoxyphenyl)-2-({5-[1-(naphthalene-2-sulfonyl)pyrrolidin-2-yl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one
Chemical Structure Depiction of
1-(4-methoxyphenyl)-2-({5-[1-(naphthalene-2-sulfonyl)pyrrolidin-2-yl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one
1-(4-methoxyphenyl)-2-({5-[1-(naphthalene-2-sulfonyl)pyrrolidin-2-yl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one
Compound characteristics
| Compound ID: | 8018-5466 |
| Compound Name: | 1-(4-methoxyphenyl)-2-({5-[1-(naphthalene-2-sulfonyl)pyrrolidin-2-yl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one |
| Molecular Weight: | 584.72 |
| Molecular Formula: | C31 H28 N4 O4 S2 |
| Smiles: | COc1ccc(cc1)C(CSc1nnc(C2CCCN2S(c2ccc3ccccc3c2)(=O)=O)n1c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3142 |
| logD: | 5.3142 |
| logSw: | -6.0992 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 77.78 |
| InChI Key: | ZXTIXLJDAWEMEY-NDEPHWFRSA-N |