6-[(4-chlorophenyl)methyl]-3-(3-methylanilino)-1,2,4-triazin-5(4H)-one
Chemical Structure Depiction of
6-[(4-chlorophenyl)methyl]-3-(3-methylanilino)-1,2,4-triazin-5(4H)-one
6-[(4-chlorophenyl)methyl]-3-(3-methylanilino)-1,2,4-triazin-5(4H)-one
Compound characteristics
| Compound ID: | C102-0392 |
| Compound Name: | 6-[(4-chlorophenyl)methyl]-3-(3-methylanilino)-1,2,4-triazin-5(4H)-one |
| Molecular Weight: | 326.78 |
| Molecular Formula: | C17 H15 Cl N4 O |
| Smiles: | Cc1cccc(c1)NC1NC(C(Cc2ccc(cc2)[Cl])=NN=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2231 |
| logD: | 4.2231 |
| logSw: | -4.5422 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.756 |
| InChI Key: | BBBWZCNWNLUQGL-UHFFFAOYSA-N |