Basic information
- CAS
442639-80-7- Standard SMILES
COc1ccc(C(=O)CC2(O)C(=O)Nc3ccc(Cl)cc32)cc1- InChIKey
KOKJYSFCUDPACI-UHFFFAOYSA-N- Molecular formula
- C17H14ClNO4
- Average molar mass
- 331.7 g/mol
Names & identifiers
- Preferred name
- 5-Chloro-3-hydroxy-3-(2-(4-methoxyphenyl)-2-oxoethyl)indolin-2-one
- IUPAC
- 5-chloro-3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one
- English name
- 5-chloro-3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1,3-dihydro-2H-indol-2-one
- Molecular formula
- C17H14ClNO4
- Molecular weight
- 331.75036
Names & synonyms
442639-80-75-chloro-3-hydroxy-3-(2-(4-methoxyphenyl)-2-oxoethyl)indolin-2-one5-chloro-3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-2,3-dihydro-1H-indol-2-one5-chloro-3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1,3-dihydro-2H-indol-2-one5-chloro-3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]indolin-2-one5-chloro-3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-indol-2-oneOprea1_024652CHEMBL3360381SCHEMBL15337237CCG-21445STK010731AKOS000542487
Show more names
AKOS022083133ST50020211VU0508935-1AK-778/40808506SR-01000502290SR-01000502290-1Z57172236F3094-0043
Database identifiers
- CAS
442639-80-7- ChEMBL
CHEMBL3360381
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 477
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
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Compound notes
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