1-(3-chlorophenyl)-5-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
1-(3-chlorophenyl)-5-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
1-(3-chlorophenyl)-5-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 4299-0864 |
| Compound Name: | 1-(3-chlorophenyl)-5-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 449.96 |
| Molecular Formula: | C24 H20 Cl N3 O2 S |
| Smiles: | Cc1ccc(cc1)n1c(C)cc(/C=C2/C(NC(N(C2=O)c2cccc(c2)[Cl])=S)=O)c1C |
| Stereo: | ACHIRAL |
| logP: | 4.6232 |
| logD: | 4.0918 |
| logSw: | -4.6451 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.893 |
| InChI Key: | JDOBOCKEVQXGQN-UHFFFAOYSA-N |