methyl 2-{[(1-benzyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]amino}-3,4,5-trimethoxybenzoate
Chemical Structure Depiction of
methyl 2-{[(1-benzyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]amino}-3,4,5-trimethoxybenzoate
methyl 2-{[(1-benzyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]amino}-3,4,5-trimethoxybenzoate
Compound characteristics
| Compound ID: | 8010-4632 |
| Compound Name: | methyl 2-{[(1-benzyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]amino}-3,4,5-trimethoxybenzoate |
| Molecular Weight: | 469.45 |
| Molecular Formula: | C23 H23 N3 O8 |
| Smiles: | COC(c1cc(c(c(c1N/C=C1/C(NC(N(Cc2ccccc2)C1=O)=O)=O)OC)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.205 |
| logD: | -2.8411 |
| logSw: | -3.2209 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 108.446 |
| InChI Key: | ICGIPDVGXSJCQO-UHFFFAOYSA-N |