1-(3,5-dichlorophenyl)-5-{[4-(1,3-dihydro-2H-isoindol-2-yl)-2-methoxyphenyl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
1-(3,5-dichlorophenyl)-5-{[4-(1,3-dihydro-2H-isoindol-2-yl)-2-methoxyphenyl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
1-(3,5-dichlorophenyl)-5-{[4-(1,3-dihydro-2H-isoindol-2-yl)-2-methoxyphenyl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 4243-1055 |
| Compound Name: | 1-(3,5-dichlorophenyl)-5-{[4-(1,3-dihydro-2H-isoindol-2-yl)-2-methoxyphenyl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 524.42 |
| Molecular Formula: | C26 H19 Cl2 N3 O3 S |
| Smiles: | COc1cc(ccc1/C=C1/C(NC(N(C1=O)c1cc(cc(c1)[Cl])[Cl])=S)=O)N1Cc2ccccc2C1 |
| Stereo: | ACHIRAL |
| logP: | 5.832 |
| logD: | 4.1115 |
| logSw: | -6.0117 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.272 |
| InChI Key: | GAGPGYWQNVINQG-UHFFFAOYSA-N |