tert-butyl {[4-phenyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
tert-butyl {[4-phenyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
tert-butyl {[4-phenyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | V012-0238 |
| Compound Name: | tert-butyl {[4-phenyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate |
| Molecular Weight: | 373.49 |
| Molecular Formula: | C18 H19 N3 O2 S2 |
| Salt: | not_available |
| Smiles: | CC(C)(C)OC(CSc1nnc(c2cccs2)n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5221 |
| logD: | 4.5218 |
| logSw: | -4.3618 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.271 |
| InChI Key: | DAQULXCQHNBARL-UHFFFAOYSA-N |