1-(2,3-dichlorophenyl)-5-{[4-(1,3-dihydro-2H-isoindol-2-yl)-2-methylphenyl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
1-(2,3-dichlorophenyl)-5-{[4-(1,3-dihydro-2H-isoindol-2-yl)-2-methylphenyl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
1-(2,3-dichlorophenyl)-5-{[4-(1,3-dihydro-2H-isoindol-2-yl)-2-methylphenyl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 4243-1246 |
| Compound Name: | 1-(2,3-dichlorophenyl)-5-{[4-(1,3-dihydro-2H-isoindol-2-yl)-2-methylphenyl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 508.43 |
| Molecular Formula: | C26 H19 Cl2 N3 O2 S |
| Smiles: | Cc1cc(ccc1/C=C1/C(NC(N(C1=O)c1cccc(c1[Cl])[Cl])=S)=O)N1Cc2ccccc2C1 |
| Stereo: | ACHIRAL |
| logP: | 6.1036 |
| logD: | 4.8248 |
| logSw: | -6.2641 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.341 |
| InChI Key: | CNCNLYVPADJEBJ-UHFFFAOYSA-N |