3-(3-chloro-1,2-oxazol-5-yl)-1-{4-[(4-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}propan-1-one
Chemical Structure Depiction of
3-(3-chloro-1,2-oxazol-5-yl)-1-{4-[(4-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}propan-1-one
3-(3-chloro-1,2-oxazol-5-yl)-1-{4-[(4-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}propan-1-one
Compound characteristics
| Compound ID: | S517-1159 |
| Compound Name: | 3-(3-chloro-1,2-oxazol-5-yl)-1-{4-[(4-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}propan-1-one |
| Molecular Weight: | 399.88 |
| Molecular Formula: | C20 H22 Cl N5 O2 |
| Smiles: | C1CN(CCC1Cc1nncn1c1ccccc1)C(CCc1cc(no1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.6262 |
| logD: | 2.6259 |
| logSw: | -3.1806 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 62.723 |
| InChI Key: | CQAAFLCVPVIFMQ-UHFFFAOYSA-N |