5-({[(2-phenyl-1,3-thiazol-4-yl)methyl]sulfanyl}methyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
5-({[(2-phenyl-1,3-thiazol-4-yl)methyl]sulfanyl}methyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
5-({[(2-phenyl-1,3-thiazol-4-yl)methyl]sulfanyl}methyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | 8018-3432 |
| Compound Name: | 5-({[(2-phenyl-1,3-thiazol-4-yl)methyl]sulfanyl}methyl)-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 304.39 |
| Molecular Formula: | C13 H12 N4 O S2 |
| Smiles: | C(C1NC(NN=1)=O)SCc1csc(c2ccccc2)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.2012 |
| logD: | 2.8204 |
| logSw: | -3.3331 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.655 |
| InChI Key: | OWFAJNCBKDLAJE-UHFFFAOYSA-N |