5-{[1-(4-bromophenyl)-2,5-diphenyl-1H-pyrrol-3-yl]methylidene}-1-(3,4-dimethylphenyl)-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-(3,4-dimethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
5-{[1-(4-bromophenyl)-2,5-diphenyl-1H-pyrrol-3-yl]methylidene}-1-(3,4-dimethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 8008-6077 |
| Compound Name: | 5-{[1-(4-bromophenyl)-2,5-diphenyl-1H-pyrrol-3-yl]methylidene}-1-(3,4-dimethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 632.58 |
| Molecular Formula: | C35 H26 Br N3 O2 S |
| Smiles: | Cc1ccc(cc1C)N1C(C(=C/c2cc(c3ccccc3)n(c3ccc(cc3)[Br])c2c2ccccc2)\C(NC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 8.5836 |
| logD: | 8.4941 |
| logSw: | -5.6784 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.409 |
| InChI Key: | TXNVCDCWNZCCCX-UHFFFAOYSA-N |