methyl 4-{[1-(3-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}benzoate
Chemical Structure Depiction of
methyl 4-{[1-(3-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}benzoate
methyl 4-{[1-(3-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}benzoate
Compound characteristics
| Compound ID: | 3970-1223 |
| Compound Name: | methyl 4-{[1-(3-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}benzoate |
| Molecular Weight: | 364.36 |
| Molecular Formula: | C20 H16 N2 O5 |
| Smiles: | Cc1cccc(c1)N1C(C(=C\c2ccc(cc2)C(=O)OC)\C(NC1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9785 |
| logD: | 2.9021 |
| logSw: | -3.3231 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.565 |
| InChI Key: | NHWQOIFNVFDBCA-UHFFFAOYSA-N |