5-{[1-(4-bromophenyl)-2,5-dimethyl-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-dimethyl-1H-pyrrol-3-yl]methylidene}-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
5-{[1-(4-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 2147-0105 |
| Compound Name: | 5-{[1-(4-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 556.48 |
| Molecular Formula: | C29 H22 Br N3 O2 S |
| Smiles: | Cc1cc(C=C2C(N(C(N(C2=O)c2ccccc2)=S)c2ccccc2)=O)c(C)n1c1ccc(cc1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 5.2848 |
| logD: | 5.2848 |
| logSw: | -5.2363 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 33.185 |
| InChI Key: | DFGZYLPIZPVBIO-UHFFFAOYSA-N |