ethyl 4-(3-{[1-(3,5-dimethylphenyl)-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-(3,5-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate
ethyl 4-(3-{[1-(3,5-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate
Compound characteristics
| Compound ID: | 2368-1467 |
| Compound Name: | ethyl 4-(3-{[1-(3,5-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate |
| Molecular Weight: | 485.54 |
| Molecular Formula: | C28 H27 N3 O5 |
| Smiles: | CCOC(c1ccc(cc1)n1c(C)cc(\C=C2/C(NC(N(C2=O)c2cc(C)cc(C)c2)=O)=O)c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7694 |
| logD: | 4.7662 |
| logSw: | -4.4988 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.809 |
| InChI Key: | CTFJQKVUPDBEKR-UHFFFAOYSA-N |