methyl {3-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-1H-indol-1-yl}acetate
Chemical Structure Depiction of
methyl {3-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-1H-indol-1-yl}acetate
methyl {3-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-1H-indol-1-yl}acetate
Compound characteristics
| Compound ID: | 4724-4685 |
| Compound Name: | methyl {3-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-1H-indol-1-yl}acetate |
| Molecular Weight: | 327.29 |
| Molecular Formula: | C16 H13 N3 O5 |
| Smiles: | COC(Cn1cc(C=C2C(NC(NC2=O)=O)=O)c2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 0.4053 |
| logD: | -0.229 |
| logSw: | -2.1122 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.226 |
| InChI Key: | AVKCIMOBZAKBPT-UHFFFAOYSA-N |