methyl 4-{[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)(phenyl)methyl]amino}benzoate
Chemical Structure Depiction of
methyl 4-{[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)(phenyl)methyl]amino}benzoate
methyl 4-{[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)(phenyl)methyl]amino}benzoate
Compound characteristics
| Compound ID: | 1014-0116 |
| Compound Name: | methyl 4-{[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)(phenyl)methyl]amino}benzoate |
| Molecular Weight: | 393.4 |
| Molecular Formula: | C21 H19 N3 O5 |
| Smiles: | CN1C(C(=C(c2ccccc2)Nc2ccc(cc2)C(=O)OC)C(N(C)C1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0789 |
| logD: | -0.9138 |
| logSw: | -3.5347 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.438 |
| InChI Key: | GCSCJHQIJXOJDI-UHFFFAOYSA-N |