N-(1-benzyl-1H-1,2,4-triazol-3-yl)-3-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
Chemical Structure Depiction of
N-(1-benzyl-1H-1,2,4-triazol-3-yl)-3-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
N-(1-benzyl-1H-1,2,4-triazol-3-yl)-3-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
Compound characteristics
| Compound ID: | Y504-5876 |
| Compound Name: | N-(1-benzyl-1H-1,2,4-triazol-3-yl)-3-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide |
| Molecular Weight: | 399.81 |
| Molecular Formula: | C19 H15 Cl F N5 O2 |
| Smiles: | C1C(C(Nc2ncn(Cc3ccccc3)n2)=O)ON=C1c1c(cccc1[Cl])F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3042 |
| logD: | 3.282 |
| logSw: | -3.9933 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.145 |
| InChI Key: | KMCSBVIPJHETQJ-MRXNPFEDSA-N |