6-[(4-chlorophenyl)methyl]-3-(methylsulfanyl)-1,2,4-triazin-5(4H)-one
Chemical Structure Depiction of
6-[(4-chlorophenyl)methyl]-3-(methylsulfanyl)-1,2,4-triazin-5(4H)-one
6-[(4-chlorophenyl)methyl]-3-(methylsulfanyl)-1,2,4-triazin-5(4H)-one
Compound characteristics
| Compound ID: | 8016-9182 |
| Compound Name: | 6-[(4-chlorophenyl)methyl]-3-(methylsulfanyl)-1,2,4-triazin-5(4H)-one |
| Molecular Weight: | 267.73 |
| Molecular Formula: | C11 H10 Cl N3 O S |
| Smiles: | CSC1NC(C(Cc2ccc(cc2)[Cl])=NN=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8029 |
| logD: | 2.7744 |
| logSw: | -3.5769 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.971 |
| InChI Key: | NWWOVLDGCVPTMR-UHFFFAOYSA-N |