5-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methylidene}-1-(2-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methylidene}-1-(2-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
5-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methylidene}-1-(2-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 8008-8470 |
| Compound Name: | 5-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methylidene}-1-(2-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 429.54 |
| Molecular Formula: | C25 H23 N3 O2 S |
| Smiles: | Cc1ccc(cc1)n1c(C)cc(\C=C2/C(NC(N(C2=O)c2ccccc2C)=S)=O)c1C |
| Stereo: | ACHIRAL |
| logP: | 4.4118 |
| logD: | 4.1213 |
| logSw: | -4.3154 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.592 |
| InChI Key: | JXFYKMQFTRWVNE-UHFFFAOYSA-N |