4-{[2-(3-{[(2-chlorophenyl)methyl]sulfanyl}-5-hydroxy-1,2,4-triazin-6-yl)anilino]methylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-{[2-(3-{[(2-chlorophenyl)methyl]sulfanyl}-5-hydroxy-1,2,4-triazin-6-yl)anilino]methylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
4-{[2-(3-{[(2-chlorophenyl)methyl]sulfanyl}-5-hydroxy-1,2,4-triazin-6-yl)anilino]methylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 4896-4237 |
| Compound Name: | 4-{[2-(3-{[(2-chlorophenyl)methyl]sulfanyl}-5-hydroxy-1,2,4-triazin-6-yl)anilino]methylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 529.02 |
| Molecular Formula: | C27 H21 Cl N6 O2 S |
| Smiles: | CC1\C(=C/Nc2ccccc2c2c(nc(nn2)SCc2ccccc2[Cl])O)C(N(c2ccccc2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7271 |
| logD: | 4.2042 |
| logSw: | -4.505 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.098 |
| InChI Key: | NAXKKYJILXKMAI-UHFFFAOYSA-N |