methyl 4-{[1-(3,5-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}benzoate
Chemical Structure Depiction of
methyl 4-{[1-(3,5-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}benzoate
methyl 4-{[1-(3,5-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}benzoate
Compound characteristics
| Compound ID: | 2368-0124 |
| Compound Name: | methyl 4-{[1-(3,5-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}benzoate |
| Molecular Weight: | 378.38 |
| Molecular Formula: | C21 H18 N2 O5 |
| Smiles: | Cc1cc(C)cc(c1)N1C(C(=C\c2ccc(cc2)C(=O)OC)\C(NC1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5154 |
| logD: | 3.4998 |
| logSw: | -3.6665 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.565 |
| InChI Key: | GZBVHNPYLFWXPX-UHFFFAOYSA-N |