ethyl 4-(3-{[1-(4-bromophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2,5-diphenyl-1H-pyrrol-1-yl)benzoate
Chemical Structure Depiction of
ethyl 4-(3-{[1-(4-bromophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2,5-diphenyl-1H-pyrrol-1-yl)benzoate
ethyl 4-(3-{[1-(4-bromophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2,5-diphenyl-1H-pyrrol-1-yl)benzoate
Compound characteristics
| Compound ID: | 3288-0089 |
| Compound Name: | ethyl 4-(3-{[1-(4-bromophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2,5-diphenyl-1H-pyrrol-1-yl)benzoate |
| Molecular Weight: | 676.59 |
| Molecular Formula: | C36 H26 Br N3 O4 S |
| Smiles: | CCOC(c1ccc(cc1)n1c(cc(/C=C2/C(NC(N(C2=O)c2ccc(cc2)[Br])=S)=O)c1c1ccccc1)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 8.0525 |
| logD: | 7.71 |
| logSw: | -5.7184 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.162 |
| InChI Key: | OXAHTJDRXGEGIB-UHFFFAOYSA-N |