5-{[1-(3,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-(3-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-{[1-(3,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-(3-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
5-{[1-(3,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-(3-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 3288-0052 |
| Compound Name: | 5-{[1-(3,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-(3-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 473.59 |
| Molecular Formula: | C27 H27 N3 O3 S |
| Smiles: | CCOc1cccc(c1)N1C(C(=C/c2cc(C)n(c3ccc(C)c(C)c3)c2C)\C(NC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2134 |
| logD: | 5.1577 |
| logSw: | -5.0248 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.017 |
| InChI Key: | VGTWSQSVHGNHLV-UHFFFAOYSA-N |