5-{[1-(4-bromophenyl)-2,5-diphenyl-1H-pyrrol-3-yl]methylidene}-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-{[1-(4-bromophenyl)-2,5-diphenyl-1H-pyrrol-3-yl]methylidene}-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
5-{[1-(4-bromophenyl)-2,5-diphenyl-1H-pyrrol-3-yl]methylidene}-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 8009-0992 |
| Compound Name: | 5-{[1-(4-bromophenyl)-2,5-diphenyl-1H-pyrrol-3-yl]methylidene}-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 680.62 |
| Molecular Formula: | C39 H26 Br N3 O2 S |
| Smiles: | C(=C1C(N(C(N(C1=O)c1ccccc1)=S)c1ccccc1)=O)c1cc(c2ccccc2)n(c2ccc(cc2)[Br])c1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 8.3417 |
| logD: | 8.3417 |
| logSw: | -6.2383 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 30.7011 |
| InChI Key: | NTNUNFVRPIGROK-UHFFFAOYSA-N |