5-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]methylidene}-1-[4-(propan-2-yl)phenyl]-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]methylidene}-1-[4-(propan-2-yl)phenyl]-2-sulfanylidene-1,3-diazinane-4,6-dione
5-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]methylidene}-1-[4-(propan-2-yl)phenyl]-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 8014-6489 |
| Compound Name: | 5-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]methylidene}-1-[4-(propan-2-yl)phenyl]-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 475.57 |
| Molecular Formula: | C25 H25 N5 O3 S |
| Smiles: | CC(C)c1ccc(cc1)N1C(C(=C/NC2=C(C)N(C)N(C2=O)c2ccccc2)\C(NC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4334 |
| logD: | 1.2555 |
| logSw: | -2.7614 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.211 |
| InChI Key: | ZVLBDBGUHUDFLX-UHFFFAOYSA-N |