butyl 2-chloro-5-{[(2,4,6-trioxo-1-phenyl-1,3-diazinan-5-ylidene)methyl]amino}benzoate
Chemical Structure Depiction of
butyl 2-chloro-5-{[(2,4,6-trioxo-1-phenyl-1,3-diazinan-5-ylidene)methyl]amino}benzoate
butyl 2-chloro-5-{[(2,4,6-trioxo-1-phenyl-1,3-diazinan-5-ylidene)methyl]amino}benzoate
Compound characteristics
| Compound ID: | Y500-0616 |
| Compound Name: | butyl 2-chloro-5-{[(2,4,6-trioxo-1-phenyl-1,3-diazinan-5-ylidene)methyl]amino}benzoate |
| Molecular Weight: | 441.87 |
| Molecular Formula: | C22 H20 Cl N3 O5 |
| Smiles: | CCCCOC(c1cc(ccc1[Cl])N/C=C1/C(NC(N(C1=O)c1ccccc1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0489 |
| logD: | 3.7394 |
| logSw: | -4.4558 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.039 |
| InChI Key: | MIHFFMAPMYVVOQ-UHFFFAOYSA-N |