6-[(4-methoxyphenyl)methyl]-3-(methylsulfanyl)-1,2,4-triazin-5(2H)-one
Chemical Structure Depiction of
6-[(4-methoxyphenyl)methyl]-3-(methylsulfanyl)-1,2,4-triazin-5(2H)-one
6-[(4-methoxyphenyl)methyl]-3-(methylsulfanyl)-1,2,4-triazin-5(2H)-one
Compound characteristics
| Compound ID: | 8013-2665 |
| Compound Name: | 6-[(4-methoxyphenyl)methyl]-3-(methylsulfanyl)-1,2,4-triazin-5(2H)-one |
| Molecular Weight: | 263.32 |
| Molecular Formula: | C12 H13 N3 O2 S |
| Smiles: | COc1ccc(CC2C(N=C(NN=2)SC)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 1.8774 |
| logD: | 1.0405 |
| logSw: | -2.3656 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.734 |
| InChI Key: | VWXDPVPPRAPZAK-UHFFFAOYSA-N |