Methyl 4-(4-chlorophenyl)-5,5-dimethyl-2-{[(4-nitrophenyl)carbamoyl]amino}-4,5-dihydrofuran-3-carboxylate
Basic information
- CAS
21863-95-6- Standard SMILES
COC(=O)C1=C(NC(=O)Nc2ccc([N+](=O)[O-])cc2)OC(C)(C)C1c1ccc(Cl)cc1- InChIKey
APEJWPBLLUHSIY-UHFFFAOYSA-N- Molecular formula
- C21H20ClN3O6
- Average molar mass
- 445.9 g/mol
- Monoisotopic mass
- 445.1040631
Names & identifiers
- Preferred name
- Methyl 4-(4-chlorophenyl)-5,5-dimethyl-2-{[(4-nitrophenyl)carbamoyl]amino}-4,5-dihydrofuran-3-carboxylate
- IUPAC
- methyl 3-(4-chlorophenyl)-2,2-dimethyl-5-[(4-nitrophenyl)carbamoylamino]-3H-furan-4-carboxylate
Names & synonyms
21863-95-6methyl 4-(4-chlorophenyl)-5,5-dimethyl-2-{[(4-nitrophenyl)carbamoyl]amino}-4,5-dihydrofuran-3-carboxylateNSC141161DTXSID60301106APEJWPBLLUHSIY-UHFFFAOYSA-NNSC-141161DS-0012413-Carbomethoxy-4-[p-chlorophenyl]-2-[[N'-p-nitrophenyl]ureido]-5,5-dimethyl-4,5-dihydrofuranMethyl 4-(4-chlorophenyl)-5,5-dimethyl-2-([(4-nitroanilino)carbonyl]amino)-4,5-dihydro-3-furancarboxylate #methyl 4-(4-chlorophenyl)-5,5-dimethyl-2-[(4-nitrophenyl)carbamoylamino]-4H-furan-3-carboxylate
Database identifiers
- CAS
21863-95-6- PubChem CID
- 284853
- DTXSID
DTXSID60301106
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 734
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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