5-{[1-(4-bromophenyl)-2,5-diphenyl-1H-pyrrol-3-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-{[1-(4-bromophenyl)-2,5-diphenyl-1H-pyrrol-3-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
5-{[1-(4-bromophenyl)-2,5-diphenyl-1H-pyrrol-3-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 8009-0995 |
| Compound Name: | 5-{[1-(4-bromophenyl)-2,5-diphenyl-1H-pyrrol-3-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 528.43 |
| Molecular Formula: | C27 H18 Br N3 O2 S |
| Smiles: | C(=C1C(NC(NC1=O)=S)=O)c1cc(c2ccccc2)n(c2ccc(cc2)[Br])c1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 6.6126 |
| logD: | 6.2223 |
| logSw: | -6.1065 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 49.806 |
| InChI Key: | RBPCSFZIXGCBEF-UHFFFAOYSA-N |