N-{3-[5-(3,4-dichlorophenyl)-3-methoxy-1H-1,2,4-triazol-1-yl]phenyl}-3-methylbutanamide
Chemical Structure Depiction of
N-{3-[5-(3,4-dichlorophenyl)-3-methoxy-1H-1,2,4-triazol-1-yl]phenyl}-3-methylbutanamide
N-{3-[5-(3,4-dichlorophenyl)-3-methoxy-1H-1,2,4-triazol-1-yl]phenyl}-3-methylbutanamide
Compound characteristics
| Compound ID: | V026-4631 |
| Compound Name: | N-{3-[5-(3,4-dichlorophenyl)-3-methoxy-1H-1,2,4-triazol-1-yl]phenyl}-3-methylbutanamide |
| Molecular Weight: | 419.31 |
| Molecular Formula: | C20 H20 Cl2 N4 O2 |
| Salt: | not_available |
| Smiles: | CC(C)CC(Nc1cccc(c1)n1c(c2ccc(c(c2)[Cl])[Cl])nc(n1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0236 |
| logD: | 6.0236 |
| logSw: | -6.3075 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.383 |
| InChI Key: | KSAYKUHYSMQOAH-UHFFFAOYSA-N |