3-(3-methyl-1-phenyl-5-sulfanylidene-1,2,4-triazolidin-3-yl)propanoic acid
Chemical Structure Depiction of
3-(3-methyl-1-phenyl-5-sulfanylidene-1,2,4-triazolidin-3-yl)propanoic acid
3-(3-methyl-1-phenyl-5-sulfanylidene-1,2,4-triazolidin-3-yl)propanoic acid
Compound characteristics
| Compound ID: | P160-0010 |
| Compound Name: | 3-(3-methyl-1-phenyl-5-sulfanylidene-1,2,4-triazolidin-3-yl)propanoic acid |
| Molecular Weight: | 265.33 |
| Molecular Formula: | C12 H15 N3 O2 S |
| Smiles: | CC1(CCC(O)=O)NC(N(c2ccccc2)N1)=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5722 |
| logD: | -1.2487 |
| logSw: | -2.1915 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 55.975 |
| InChI Key: | DRFMFHJHXWISLA-LBPRGKRZSA-N |