1-(4-bromophenyl)-5-({1-[4-(dimethylamino)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
1-(4-bromophenyl)-5-({1-[4-(dimethylamino)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione
1-(4-bromophenyl)-5-({1-[4-(dimethylamino)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 8010-8865 |
| Compound Name: | 1-(4-bromophenyl)-5-({1-[4-(dimethylamino)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 523.45 |
| Molecular Formula: | C25 H23 Br N4 O2 S |
| Smiles: | Cc1cc(\C=C2/C(NC(N(C2=O)c2ccc(cc2)[Br])=S)=O)c(C)n1c1ccc(cc1)N(C)C |
| Stereo: | ACHIRAL |
| logP: | 4.4842 |
| logD: | 4.3758 |
| logSw: | -4.3092 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.698 |
| InChI Key: | FHGMYEORJUCDBP-UHFFFAOYSA-N |