ethyl 4-(3-{[1-(3,5-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-2,5-diphenyl-1H-pyrrol-1-yl)benzoate
Chemical Structure Depiction of
ethyl 4-(3-{[1-(3,5-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-2,5-diphenyl-1H-pyrrol-1-yl)benzoate
ethyl 4-(3-{[1-(3,5-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-2,5-diphenyl-1H-pyrrol-1-yl)benzoate
Compound characteristics
| Compound ID: | 2368-0058 |
| Compound Name: | ethyl 4-(3-{[1-(3,5-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-2,5-diphenyl-1H-pyrrol-1-yl)benzoate |
| Molecular Weight: | 609.68 |
| Molecular Formula: | C38 H31 N3 O5 |
| Smiles: | CCOC(c1ccc(cc1)n1c(cc(/C=C2/C(NC(N(C2=O)c2cc(C)cc(C)c2)=O)=O)c1c1ccccc1)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 7.8262 |
| logD: | 7.8125 |
| logSw: | -5.7065 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.325 |
| InChI Key: | RPFRVLHPSTZGPD-UHFFFAOYSA-N |