1-(2H-1,3-benzodioxol-5-yl)-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-(2H-1,3-benzodioxol-5-yl)-2-({5-[1-(naphthalene-2-sulfonyl)pyrrolidin-2-yl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one
1-(2H-1,3-benzodioxol-5-yl)-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: | 8018-3767 |
| Compound Name: | 1-(2H-1,3-benzodioxol-5-yl)-2-({5-[1-(naphthalene-2-sulfonyl)pyrrolidin-2-yl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one |
| Molecular Weight: | 598.7 |
| Molecular Formula: | C31 H26 N4 O5 S2 |
| Smiles: | C1CC(c2nnc(n2c2ccccc2)SCC(c2ccc3c(c2)OCO3)=O)N(C1)S(c1ccc2ccccc2c1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4894 |
| logD: | 5.4894 |
| logSw: | -6.6301 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 87.351 |
| InChI Key: | XSLRKCJNBCGAND-SANMLTNESA-N |