6-[(2-chlorophenyl)methyl]-3-[4-(propan-2-yl)anilino]-1,2,4-triazin-5(4H)-one
Chemical Structure Depiction of
6-[(2-chlorophenyl)methyl]-3-[4-(propan-2-yl)anilino]-1,2,4-triazin-5(4H)-one
6-[(2-chlorophenyl)methyl]-3-[4-(propan-2-yl)anilino]-1,2,4-triazin-5(4H)-one
Compound characteristics
| Compound ID: | C102-0549 |
| Compound Name: | 6-[(2-chlorophenyl)methyl]-3-[4-(propan-2-yl)anilino]-1,2,4-triazin-5(4H)-one |
| Molecular Weight: | 354.84 |
| Molecular Formula: | C19 H19 Cl N4 O |
| Smiles: | CC(C)c1ccc(cc1)NC1NC(C(Cc2ccccc2[Cl])=NN=1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3798 |
| logD: | 5.3796 |
| logSw: | -6.0711 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.756 |
| InChI Key: | BCWPBPKXNNKUEJ-UHFFFAOYSA-N |