4-methyl-5-{[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-2H-1,3-dioxol-2-one
Chemical Structure Depiction of
4-methyl-5-{[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-2H-1,3-dioxol-2-one
4-methyl-5-{[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-2H-1,3-dioxol-2-one
Compound characteristics
| Compound ID: | 8019-8885 |
| Compound Name: | 4-methyl-5-{[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-2H-1,3-dioxol-2-one |
| Molecular Weight: | 303.34 |
| Molecular Formula: | C14 H13 N3 O3 S |
| Smiles: | CC1=C(CSc2nnc(c3ccccc3)n2C)OC(=O)O1 |
| Stereo: | ACHIRAL |
| logP: | 1.8311 |
| logD: | 1.8311 |
| logSw: | -2.1284 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.47 |
| InChI Key: | RFEYPWVPLOGLNI-UHFFFAOYSA-N |