5-{[1-(4-iodo-3-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-{[1-(4-iodo-3-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
5-{[1-(4-iodo-3-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 3288-0671 |
| Compound Name: | 5-{[1-(4-iodo-3-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 571.44 |
| Molecular Formula: | C25 H22 I N3 O3 S |
| Smiles: | Cc1cc(ccc1I)n1c(C)cc(/C=C2/C(NC(N(C2=O)c2ccc(cc2)OC)=S)=O)c1C |
| Stereo: | ACHIRAL |
| logP: | 4.9125 |
| logD: | 4.8068 |
| logSw: | -4.7255 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.437 |
| InChI Key: | ABCNVAFXNZDQOU-UHFFFAOYSA-N |