methyl 4-[(3,5-dimethyl-2,4,6-trioxo-1,3,5-triazinan-1-yl)methyl]benzoate
Chemical Structure Depiction of
methyl 4-[(3,5-dimethyl-2,4,6-trioxo-1,3,5-triazinan-1-yl)methyl]benzoate
methyl 4-[(3,5-dimethyl-2,4,6-trioxo-1,3,5-triazinan-1-yl)methyl]benzoate
Compound characteristics
| Compound ID: | 8019-8965 |
| Compound Name: | methyl 4-[(3,5-dimethyl-2,4,6-trioxo-1,3,5-triazinan-1-yl)methyl]benzoate |
| Molecular Weight: | 305.29 |
| Molecular Formula: | C14 H15 N3 O5 |
| Smiles: | CN1C(N(C)C(N(Cc2ccc(cc2)C(=O)OC)C1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8534 |
| logD: | 1.8534 |
| logSw: | -2.1584 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 69.456 |
| InChI Key: | NBDLPMNYXKBGJC-UHFFFAOYSA-N |