5-{[1-(4-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-(3,4-dimethylphenyl)-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-{[1-(4-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-(3,4-dimethylphenyl)-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
5-{[1-(4-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-(3,4-dimethylphenyl)-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 2147-0107 |
| Compound Name: | 5-{[1-(4-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-(3,4-dimethylphenyl)-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 584.53 |
| Molecular Formula: | C31 H26 Br N3 O2 S |
| Smiles: | Cc1ccc(cc1C)N1C(C(=C/c2cc(C)n(c3ccc(cc3)[Br])c2C)\C(N(C1=S)c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.5389 |
| logD: | 6.5389 |
| logSw: | -5.6265 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 33.185 |
| InChI Key: | YNAYDZJCXACFMJ-UHFFFAOYSA-N |