4-({2-[3-(benzylsulfanyl)-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-(benzylsulfanyl)-5-hydroxy-1,2,4-triazin-6-yl]anilino}methylidene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
4-({2-[3-(benzylsulfanyl)-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: | 4896-3630 |
| Compound Name: | 4-({2-[3-(benzylsulfanyl)-5-hydroxy-1,2,4-triazin-6-yl]anilino}methylidene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 494.57 |
| Molecular Formula: | C27 H22 N6 O2 S |
| Smiles: | CC1/C(=C/Nc2ccccc2c2c(nc(nn2)SCc2ccccc2)O)C(N(c2ccccc2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7909 |
| logD: | 3.2679 |
| logSw: | -3.9047 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.098 |
| InChI Key: | DGRBIIYQAMFHGX-UHFFFAOYSA-N |