5-{[1-(4-chlorophenyl)-2,5-diphenyl-1H-pyrrol-3-yl]methylidene}-1-(3-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-{[1-(4-chlorophenyl)-2,5-diphenyl-1H-pyrrol-3-yl]methylidene}-1-(3-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
5-{[1-(4-chlorophenyl)-2,5-diphenyl-1H-pyrrol-3-yl]methylidene}-1-(3-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 2368-1620 |
| Compound Name: | 5-{[1-(4-chlorophenyl)-2,5-diphenyl-1H-pyrrol-3-yl]methylidene}-1-(3-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 574.1 |
| Molecular Formula: | C34 H24 Cl N3 O2 S |
| Smiles: | Cc1cccc(c1)N1C(C(=C\c2cc(c3ccccc3)n(c3ccc(cc3)[Cl])c2c2ccccc2)\C(NC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 7.7103 |
| logD: | 7.6208 |
| logSw: | -6.4319 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.409 |
| InChI Key: | IRNKLPASICHGIX-UHFFFAOYSA-N |