ethyl 4-(3-{[1-(4-methoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate
Chemical Structure Depiction of
ethyl 4-(3-{[1-(4-methoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate
ethyl 4-(3-{[1-(4-methoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate
Compound characteristics
| Compound ID: | 2368-1468 |
| Compound Name: | ethyl 4-(3-{[1-(4-methoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate |
| Molecular Weight: | 487.51 |
| Molecular Formula: | C27 H25 N3 O6 |
| Smiles: | CCOC(c1ccc(cc1)n1c(C)cc(\C=C2/C(NC(N(C2=O)c2ccc(cc2)OC)=O)=O)c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7165 |
| logD: | 3.6362 |
| logSw: | -4.1061 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.353 |
| InChI Key: | BDDXHHDQEWXEOL-UHFFFAOYSA-N |