ethyl 4-{2,5-dimethyl-3-[(2,4,6-trioxo-1-phenyl-1,3-diazinan-5-ylidene)methyl]-1H-pyrrol-1-yl}benzoate
Chemical Structure Depiction of
ethyl 4-{2,5-dimethyl-3-[(2,4,6-trioxo-1-phenyl-1,3-diazinan-5-ylidene)methyl]-1H-pyrrol-1-yl}benzoate
ethyl 4-{2,5-dimethyl-3-[(2,4,6-trioxo-1-phenyl-1,3-diazinan-5-ylidene)methyl]-1H-pyrrol-1-yl}benzoate
Compound characteristics
| Compound ID: | 2368-1464 |
| Compound Name: | ethyl 4-{2,5-dimethyl-3-[(2,4,6-trioxo-1-phenyl-1,3-diazinan-5-ylidene)methyl]-1H-pyrrol-1-yl}benzoate |
| Molecular Weight: | 457.49 |
| Molecular Formula: | C26 H23 N3 O5 |
| Smiles: | CCOC(c1ccc(cc1)n1c(C)cc(\C=C2/C(NC(N(C2=O)c2ccccc2)=O)=O)c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6125 |
| logD: | 3.5323 |
| logSw: | -3.7415 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.809 |
| InChI Key: | ZSUOTBSXQYUQSI-UHFFFAOYSA-N |