tert-butyl {[5-(3-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
tert-butyl {[5-(3-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
tert-butyl {[5-(3-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | V011-3045 |
| Compound Name: | tert-butyl {[5-(3-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate |
| Molecular Weight: | 345.46 |
| Molecular Formula: | C18 H23 N3 O2 S |
| Smiles: | Cc1cccc(c1)c1nnc(n1CC=C)SCC(=O)OC(C)(C)C |
| Stereo: | ACHIRAL |
| logP: | 4.5462 |
| logD: | 4.5462 |
| logSw: | -4.4993 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 43.759 |
| InChI Key: | IUXRLTMCFNGKTM-UHFFFAOYSA-N |