3-[3-({[5-(3-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
Chemical Structure Depiction of
3-[3-({[5-(3-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
3-[3-({[5-(3-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
Compound characteristics
| Compound ID: | J021-3097 |
| Compound Name: | 3-[3-({[5-(3-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide |
| Molecular Weight: | 429.43 |
| Molecular Formula: | C18 H16 F N7 O3 S |
| Smiles: | Cc1cc(NC(CCc2nc(CSc3nnc(c4cccc(c4)F)[nH]3)no2)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 2.6307 |
| logD: | 1.43 |
| logSw: | -3.0502 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 109.752 |
| InChI Key: | DCSIMSICFCGSTN-UHFFFAOYSA-N |