3-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl 4-chlorobenzoate
Chemical Structure Depiction of
3-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl 4-chlorobenzoate
3-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl 4-chlorobenzoate
Compound characteristics
| Compound ID: | 3681-1197 |
| Compound Name: | 3-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl 4-chlorobenzoate |
| Molecular Weight: | 370.75 |
| Molecular Formula: | C18 H11 Cl N2 O5 |
| Smiles: | C(=C1C(NC(NC1=O)=O)=O)c1cccc(c1)OC(c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.4658 |
| logD: | 2.1186 |
| logSw: | -3.5365 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.021 |
| InChI Key: | KSMGUZXVVKDMIW-UHFFFAOYSA-N |