4-[(3,4-dichlorophenyl)methyl]-6-methyl-3-sulfanyl-1,2,4-triazin-5(4H)-one
Chemical Structure Depiction of
4-[(3,4-dichlorophenyl)methyl]-6-methyl-3-sulfanyl-1,2,4-triazin-5(4H)-one
4-[(3,4-dichlorophenyl)methyl]-6-methyl-3-sulfanyl-1,2,4-triazin-5(4H)-one
Compound characteristics
| Compound ID: | 8016-9407 |
| Compound Name: | 4-[(3,4-dichlorophenyl)methyl]-6-methyl-3-sulfanyl-1,2,4-triazin-5(4H)-one |
| Molecular Weight: | 302.18 |
| Molecular Formula: | C11 H9 Cl2 N3 O S |
| Smiles: | CC1C(N(Cc2ccc(c(c2)[Cl])[Cl])C(=NN=1)S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6416 |
| logD: | 0.1927 |
| logSw: | -3.7475 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 35.288 |
| InChI Key: | BNMOMDOSYGYLFI-UHFFFAOYSA-N |