methyl {3-[(2,4,6-trioxo-1-phenyl-1,3-diazinan-5-ylidene)methyl]-1H-indol-1-yl}acetate
Chemical Structure Depiction of
methyl {3-[(2,4,6-trioxo-1-phenyl-1,3-diazinan-5-ylidene)methyl]-1H-indol-1-yl}acetate
methyl {3-[(2,4,6-trioxo-1-phenyl-1,3-diazinan-5-ylidene)methyl]-1H-indol-1-yl}acetate
Compound characteristics
| Compound ID: | 4724-4617 |
| Compound Name: | methyl {3-[(2,4,6-trioxo-1-phenyl-1,3-diazinan-5-ylidene)methyl]-1H-indol-1-yl}acetate |
| Molecular Weight: | 403.39 |
| Molecular Formula: | C22 H17 N3 O5 |
| Smiles: | COC(Cn1cc(/C=C2/C(NC(N(C2=O)c2ccccc2)=O)=O)c2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7902 |
| logD: | 1.2189 |
| logSw: | -2.3446 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.973 |
| InChI Key: | QQGIVLPDOUVZRN-UHFFFAOYSA-N |