5-{[1-(4-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-(4-ethoxyphenyl)-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-(4-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
5-{[1-(4-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-(4-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 3288-0119 |
| Compound Name: | 5-{[1-(4-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-(4-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 524.44 |
| Molecular Formula: | C25 H22 Br N3 O3 S |
| Smiles: | CCOc1ccc(cc1)N1C(C(=C/c2cc(C)n(c3ccc(cc3)[Br])c2C)\C(NC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7632 |
| logD: | 4.6574 |
| logSw: | -4.5019 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.017 |
| InChI Key: | PQALYMWHQMCGPR-UHFFFAOYSA-N |