5-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]methylidene}-1-(2-methoxyphenyl)-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-(2-methoxyphenyl)-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-(2-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 8014-6478 |
| Compound Name: | 5-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]methylidene}-1-(2-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 463.51 |
| Molecular Formula: | C23 H21 N5 O4 S |
| Smiles: | CC1=C(C(N(c2ccccc2)N1C)=O)N/C=C1/C(NC(N(C1=O)c1ccccc1OC)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9545 |
| logD: | 0.2139 |
| logSw: | -1.7684 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.54 |
| InChI Key: | HOMXDMNWLZJXOW-UHFFFAOYSA-N |