1-(4-bromophenyl)-5-{[1-(3,5-dimethylphenyl)-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-(3,5-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
1-(4-bromophenyl)-5-{[1-(3,5-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 2368-0987 |
| Compound Name: | 1-(4-bromophenyl)-5-{[1-(3,5-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 508.44 |
| Molecular Formula: | C25 H22 Br N3 O2 S |
| Smiles: | Cc1cc(C)cc(c1)n1c(C)cc(\C=C2/C(NC(N(C2=O)c2ccc(cc2)[Br])=S)=O)c1C |
| Stereo: | ACHIRAL |
| logP: | 5.3569 |
| logD: | 5.2511 |
| logSw: | -5.4043 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.893 |
| InChI Key: | OYRLQGMIGWRJSR-UHFFFAOYSA-N |