1-(3-chlorophenyl)-5-{[1-(4-chlorophenyl)-1H-pyrrol-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
1-(3-chlorophenyl)-5-{[1-(4-chlorophenyl)-1H-pyrrol-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
1-(3-chlorophenyl)-5-{[1-(4-chlorophenyl)-1H-pyrrol-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | Y510-2839 |
| Compound Name: | 1-(3-chlorophenyl)-5-{[1-(4-chlorophenyl)-1H-pyrrol-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 442.32 |
| Molecular Formula: | C21 H13 Cl2 N3 O2 S |
| Smiles: | C(=C1/C(NC(N(C1=O)c1cccc(c1)[Cl])=S)=O)/c1cccn1c1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.8602 |
| logD: | 3.8333 |
| logSw: | -5.0094 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.758 |
| InChI Key: | DXNVVUNVNKTWDM-UHFFFAOYSA-N |