methyl [9-(4-chlorophenyl)-2-(4-methylphenyl)-1,3,4-trioxodecahydro-3bH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]pyrazin-3b-yl]acetate
Chemical Structure Depiction of
methyl [9-(4-chlorophenyl)-2-(4-methylphenyl)-1,3,4-trioxodecahydro-3bH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]pyrazin-3b-yl]acetate
methyl [9-(4-chlorophenyl)-2-(4-methylphenyl)-1,3,4-trioxodecahydro-3bH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]pyrazin-3b-yl]acetate
Compound characteristics
| Compound ID: | Y020-6509 |
| Compound Name: | methyl [9-(4-chlorophenyl)-2-(4-methylphenyl)-1,3,4-trioxodecahydro-3bH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]pyrazin-3b-yl]acetate |
| Molecular Weight: | 481.94 |
| Molecular Formula: | C25 H24 Cl N3 O5 |
| Smiles: | Cc1ccc(cc1)N1C(C2C(C1=O)C1(CC(=O)OC)C(NCCN1C2c1ccc(cc1)[Cl])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.1394 |
| logD: | 2.1393 |
| logSw: | -3.2543 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.877 |
| InChI Key: | OIADLBBNMWHXHK-UHFFFAOYSA-N |