4-({4-[4-(3-methoxypropyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]phenyl}methoxy)benzoic acid
Chemical Structure Depiction of
4-({4-[4-(3-methoxypropyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]phenyl}methoxy)benzoic acid
4-({4-[4-(3-methoxypropyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]phenyl}methoxy)benzoic acid
Compound characteristics
| Compound ID: | Y502-9530 |
| Compound Name: | 4-({4-[4-(3-methoxypropyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]phenyl}methoxy)benzoic acid |
| Molecular Weight: | 399.47 |
| Molecular Formula: | C20 H21 N3 O4 S |
| Smiles: | COCCCn1c(c2ccc(COc3ccc(cc3)C(O)=O)cc2)nnc1S |
| Stereo: | ACHIRAL |
| logP: | 3.427 |
| logD: | 0.9095 |
| logSw: | -3.2991 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.942 |
| InChI Key: | PRIATIOALCAENS-UHFFFAOYSA-N |