ethyl 4-{[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]amino}benzoate
Chemical Structure Depiction of
ethyl 4-{[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]amino}benzoate
ethyl 4-{[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]amino}benzoate
Compound characteristics
| Compound ID: | K699-0017 |
| Compound Name: | ethyl 4-{[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]amino}benzoate |
| Molecular Weight: | 319.31 |
| Molecular Formula: | C16 H17 N O6 |
| Smiles: | CCOC(c1ccc(cc1)NC=C1C(=O)OC(C)(C)OC1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5605 |
| logD: | 1.8684 |
| logSw: | -2.7194 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.799 |
| InChI Key: | ZMPTVSZNLHVTRO-UHFFFAOYSA-N |