butyl 2-chloro-5-{5-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]furan-2-yl}benzoate
Chemical Structure Depiction of
butyl 2-chloro-5-{5-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]furan-2-yl}benzoate
butyl 2-chloro-5-{5-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]furan-2-yl}benzoate
Compound characteristics
| Compound ID: | 2082-0521 |
| Compound Name: | butyl 2-chloro-5-{5-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]furan-2-yl}benzoate |
| Molecular Weight: | 444.87 |
| Molecular Formula: | C22 H21 Cl N2 O6 |
| Smiles: | CCCCOC(c1cc(ccc1[Cl])c1ccc(C=C2C(N(C)C(N(C)C2=O)=O)=O)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.016 |
| logD: | 5.016 |
| logSw: | -5.0958 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 73.743 |
| InChI Key: | FDPSCDLGUJBQOO-UHFFFAOYSA-N |