2-{[4-benzyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethan-1-one
Chemical Structure Depiction of
2-{[4-benzyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethan-1-one
2-{[4-benzyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethan-1-one
Compound characteristics
| Compound ID: | 8014-4410 |
| Compound Name: | 2-{[4-benzyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethan-1-one |
| Molecular Weight: | 415.51 |
| Molecular Formula: | C24 H21 N3 O2 S |
| Smiles: | C(c1ccccc1)n1c(COc2ccccc2)nnc1SCC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4053 |
| logD: | 4.4053 |
| logSw: | -4.4115 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.691 |
| InChI Key: | LNVYJRPBVSRABM-UHFFFAOYSA-N |