methyl 2-{[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]amino}benzoate
Chemical Structure Depiction of
methyl 2-{[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]amino}benzoate
methyl 2-{[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]amino}benzoate
Compound characteristics
| Compound ID: | 1317-0182 |
| Compound Name: | methyl 2-{[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]amino}benzoate |
| Molecular Weight: | 317.3 |
| Molecular Formula: | C15 H15 N3 O5 |
| Smiles: | CN1C(C(=CNc2ccccc2C(=O)OC)C(N(C)C1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2555 |
| logD: | -1.8377 |
| logSw: | -1.9327 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.202 |
| InChI Key: | WAACSDALVUMTBM-UHFFFAOYSA-N |