ethyl 4-{3-[(1,3-dimethyl-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-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoate
ethyl 4-{3-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoate
Compound characteristics
| Compound ID: | 2368-1440 |
| Compound Name: | ethyl 4-{3-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoate |
| Molecular Weight: | 409.44 |
| Molecular Formula: | C22 H23 N3 O5 |
| Smiles: | CCOC(c1ccc(cc1)n1c(C)cc(C=C2C(N(C)C(N(C)C2=O)=O)=O)c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0851 |
| logD: | 3.0851 |
| logSw: | -3.0553 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.544 |
| InChI Key: | JQEUWLXXLUAKPI-UHFFFAOYSA-N |