methyl 5-(4-chlorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,2]oxazole-3-carboxylate
Chemical Structure Depiction of
methyl 5-(4-chlorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,2]oxazole-3-carboxylate
methyl 5-(4-chlorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,2]oxazole-3-carboxylate
Compound characteristics
| Compound ID: | 6877-0242 |
| Compound Name: | methyl 5-(4-chlorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,2]oxazole-3-carboxylate |
| Molecular Weight: | 308.68 |
| Molecular Formula: | C13 H9 Cl N2 O5 |
| Smiles: | COC(C1C2C(C(N(C2=O)c2ccc(cc2)[Cl])=O)ON=1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.8414 |
| logD: | 0.8414 |
| logSw: | -2.0398 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 73.136 |
| InChI Key: | BLARNBWXGUKFJQ-UHFFFAOYSA-N |