2-{[4-benzyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(difluoromethoxy)phenyl]acetamide
Chemical Structure Depiction of
2-{[4-benzyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(difluoromethoxy)phenyl]acetamide
2-{[4-benzyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(difluoromethoxy)phenyl]acetamide
Compound characteristics
| Compound ID: | C592-3805 |
| Compound Name: | 2-{[4-benzyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(difluoromethoxy)phenyl]acetamide |
| Molecular Weight: | 496.53 |
| Molecular Formula: | C25 H22 F2 N4 O3 S |
| Smiles: | [H]C(Oc1ccc(cc1)NC(CSc1nnc(COc2ccccc2)n1Cc1ccccc1)=O)(F)F |
| Stereo: | ACHIRAL |
| logP: | 4.4685 |
| logD: | 4.4685 |
| logSw: | -4.4119 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.199 |
| InChI Key: | IUQGYFPTQRXGFE-UHFFFAOYSA-N |