TL;DR: N-(4-(5-(2-chlorophenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)phenyl)acetamide (CAS 1212205-09-8) is a chemical compound with molecular formula C25H20ClN3O4 and molecular weight 461.11423 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[4-[5-(2-chlorophenyl)-4,6-dioxo-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-3-yl]phenyl]acetamide
Also Known As: N-(4-(5-(2-chlorophenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)phenyl)acetamide, N-[4-[5-(2-chlorophenyl)-4,6-dioxo-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-3-yl]phenyl]acetamide, N-{4-[5-(2-chlorophenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl]phenyl}acetamide
| Molecular Formula | C25H20ClN3O4 |
| Molecular Weight | 461.11423 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 79.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 461.11423 Da |
| Heavy Atoms | 33 |
| Complexity | 765.0 |
| SMILES | CC(=O)NC1=CC=C(C=C1)C2C3C(C(=O)N(C3=O)C4=CC=CC=C4Cl)ON2C5=CC=CC=C5 |
| InChIKey | BCRALWJTFKMIOT-UHFFFAOYSA-N |
The XLogP value of 3.8 indicates that N-(4-(5-(2-chlorophenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)phenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-(5-(2-chlorophenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)phenyl)acetamide. Following Lipinski's Rule of Five, N-(4-(5-(2-chlorophenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)phenyl)acetamide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-(4-(5-(2-chlorophenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)phenyl)acetamide is 1212205-09-8.
The molecular formula of N-(4-(5-(2-chlorophenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)phenyl)acetamide is C25H20ClN3O4.
The molecular weight of N-(4-(5-(2-chlorophenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)phenyl)acetamide is 461.11423 g/mol.
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