AG-K-18122
Basic information
- CAS
21863-91-2- Standard SMILES
COC(=O)C1=C(NC(=O)Nc2ccccc2)OC(C)(C)C1c1ccc(Cl)cc1- InChIKey
WJFBDJBPSQONGZ-UHFFFAOYSA-N- Molecular formula
- C21H21ClN2O4
- Average molar mass
- 400.9 g/mol
- Monoisotopic mass
- 400.1189848
Names & identifiers
- Preferred name
- AG-K-18122
- IUPAC
- methyl 3-(4-chlorophenyl)-2,2-dimethyl-5-(phenylcarbamoylamino)-3H-furan-4-carboxylate
Names & synonyms
21863-91-2DTXSID60296543AG-K-18122RefChem:317497DTXCID10247681NSC109830methyl 4-(4-chlorophenyl)-5,5-dimethyl-2-[(phenylcarbamoyl)amino]-4,5-dihydrofuran-3-carboxylateSCHEMBL5875279WJFBDJBPSQONGZ-UHFFFAOYSA-NNSC-1098301-[3-Carbomethoxy-4-[p-chlorophenyl]-5,5-dimethyl-4,5-dihydro-2-furyl]-3-phenylureamethyl 3-(4-chlorophenyl)-2,2-dimethyl-5-(phenylcarbamoylamino)-3H-furan-4-carboxylate
Show more names
3-Furancarboxylicacid,4-(4-chlorophenyl)-4,5-dihydro-5,5-dimethyl-2-[[(phenylamino)carbonyl]amino]-,methyl esterDS-004823Methyl 2-[(anilinocarbonyl)amino]-4-(4-chlorophenyl)-5,5-dimethyl-4,5-dihydro-3-furancarboxylate #Methyl 2-[(anilinocarbonyl)amino]-4-(4-chlorophenyl)-5,5-dimethyl-4,5-dihydrofuran-3-carboxylate
Database identifiers
- CAS
21863-91-2- PubChem CID
- 269221
- DTXSID
DTXSID60296543
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 76.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 620
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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