5-{[1-(2H-1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-(4-bromophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-{[1-(2H-1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-(4-bromophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
5-{[1-(2H-1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-(4-bromophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 3609-0287 |
| Compound Name: | 5-{[1-(2H-1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-(4-bromophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 524.39 |
| Molecular Formula: | C24 H18 Br N3 O4 S |
| Smiles: | Cc1cc(/C=C2/C(NC(N(C2=O)c2ccc(cc2)[Br])=S)=O)c(C)n1c1ccc2c(c1)OCO2 |
| Stereo: | ACHIRAL |
| logP: | 4.3193 |
| logD: | 4.2135 |
| logSw: | -4.3854 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.009 |
| InChI Key: | LIUBJPPODZHROU-UHFFFAOYSA-N |