5-{[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-(3,4-dichlorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-{[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-(3,4-dichlorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
5-{[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-(3,4-dichlorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 8010-7897 |
| Compound Name: | 5-{[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-(3,4-dichlorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 504.82 |
| Molecular Formula: | C23 H16 Cl3 N3 O2 S |
| Smiles: | Cc1cc(\C=C2/C(NC(N(C2=O)c2ccc(c(c2)[Cl])[Cl])=S)=O)c(C)n1c1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.494 |
| logD: | 4.9626 |
| logSw: | -6.0447 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.893 |
| InChI Key: | PPGPTPKZHWJVIE-UHFFFAOYSA-N |