6-methyl-3-{[(4-nitrophenyl)methyl]sulfanyl}-1,2,4-triazin-5(4H)-one
Chemical Structure Depiction of
6-methyl-3-{[(4-nitrophenyl)methyl]sulfanyl}-1,2,4-triazin-5(4H)-one
6-methyl-3-{[(4-nitrophenyl)methyl]sulfanyl}-1,2,4-triazin-5(4H)-one
Compound characteristics
| Compound ID: | 3535-0271 |
| Compound Name: | 6-methyl-3-{[(4-nitrophenyl)methyl]sulfanyl}-1,2,4-triazin-5(4H)-one |
| Molecular Weight: | 278.29 |
| Molecular Formula: | C11 H10 N4 O3 S |
| Smiles: | CC1C(NC(=NN=1)SCc1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.818 |
| logD: | 1.7676 |
| logSw: | -2.5151 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.622 |
| InChI Key: | PJNFTDAPKXTSQV-UHFFFAOYSA-N |