5-{[2,5-dimethyl-1-(2,4,6-trimethylphenyl)-1H-pyrrol-3-yl]methylidene}-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-{[2,5-dimethyl-1-(2,4,6-trimethylphenyl)-1H-pyrrol-3-yl]methylidene}-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
5-{[2,5-dimethyl-1-(2,4,6-trimethylphenyl)-1H-pyrrol-3-yl]methylidene}-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 5609-0747 |
| Compound Name: | 5-{[2,5-dimethyl-1-(2,4,6-trimethylphenyl)-1H-pyrrol-3-yl]methylidene}-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 395.52 |
| Molecular Formula: | C22 H25 N3 O2 S |
| Smiles: | Cc1cc(C)c(c(C)c1)n1c(C)cc(C=C2C(N(C)C(N(C)C2=O)=S)=O)c1C |
| Stereo: | ACHIRAL |
| logP: | 3.6893 |
| logD: | 3.6893 |
| logSw: | -4.0384 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 33.881 |
| InChI Key: | WXVFDWDPPUVYRT-UHFFFAOYSA-N |