2-{[5-(phenoxymethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(thiophen-2-yl)ethan-1-one
Chemical Structure Depiction of
2-{[5-(phenoxymethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(thiophen-2-yl)ethan-1-one
2-{[5-(phenoxymethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(thiophen-2-yl)ethan-1-one
Compound characteristics
| Compound ID: | 8009-6879 |
| Compound Name: | 2-{[5-(phenoxymethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(thiophen-2-yl)ethan-1-one |
| Molecular Weight: | 407.51 |
| Molecular Formula: | C21 H17 N3 O2 S2 |
| Smiles: | C(c1nnc(n1c1ccccc1)SCC(c1cccs1)=O)Oc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.1854 |
| logD: | 4.1854 |
| logSw: | -4.3311 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.453 |
| InChI Key: | ZXCYXXLVYHXFFB-UHFFFAOYSA-N |