3,3-dimethyl-1-{[4-phenyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}butan-2-one
Chemical Structure Depiction of
3,3-dimethyl-1-{[4-phenyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}butan-2-one
3,3-dimethyl-1-{[4-phenyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}butan-2-one
Compound characteristics
| Compound ID: | 8015-0722 |
| Compound Name: | 3,3-dimethyl-1-{[4-phenyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}butan-2-one |
| Molecular Weight: | 357.49 |
| Molecular Formula: | C18 H19 N3 O S2 |
| Smiles: | CC(C)(C)C(CSc1nnc(c2cccs2)n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5146 |
| logD: | 4.5146 |
| logSw: | -4.3151 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.249 |
| InChI Key: | UVQLKHFDTNVZME-UHFFFAOYSA-N |