5-{[1-(3,5-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-{[1-(3,5-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
5-{[1-(3,5-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 2368-0986 |
| Compound Name: | 5-{[1-(3,5-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 429.54 |
| Molecular Formula: | C25 H23 N3 O2 S |
| Smiles: | Cc1cc(C)cc(c1)n1c(C)cc(\C=C2/C(NC(N(C2=O)c2ccccc2)=S)=O)c1C |
| Stereo: | ACHIRAL |
| logP: | 4.4015 |
| logD: | 4.2957 |
| logSw: | -4.3263 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.893 |
| InChI Key: | AMYYJCCJFZTTRB-UHFFFAOYSA-N |