ethyl 3-(3-{[1-(2,4-dichlorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate
Chemical Structure Depiction of
ethyl 3-(3-{[1-(2,4-dichlorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate
ethyl 3-(3-{[1-(2,4-dichlorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate
Compound characteristics
| Compound ID: | 3972-1103 |
| Compound Name: | ethyl 3-(3-{[1-(2,4-dichlorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate |
| Molecular Weight: | 526.38 |
| Molecular Formula: | C26 H21 Cl2 N3 O5 |
| Smiles: | CCOC(c1cccc(c1)n1c(C)cc(\C=C2/C(NC(N(C2=O)c2ccc(cc2[Cl])[Cl])=O)=O)c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9291 |
| logD: | 4.5131 |
| logSw: | -5.0234 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.508 |
| InChI Key: | XTQGKNRSPPKAGB-UHFFFAOYSA-N |