ethyl 4-{[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]amino}benzoate
Chemical Structure Depiction of
ethyl 4-{[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]amino}benzoate
ethyl 4-{[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]amino}benzoate
Compound characteristics
| Compound ID: | 3237-1242 |
| Compound Name: | ethyl 4-{[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]amino}benzoate |
| Molecular Weight: | 303.27 |
| Molecular Formula: | C14 H13 N3 O5 |
| Smiles: | CCOC(c1ccc(cc1)NC=C1C(NC(NC1=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1688 |
| logD: | 0.8145 |
| logSw: | -2.1262 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 94.998 |
| InChI Key: | LCMKTSXOYHHVEQ-UHFFFAOYSA-N |