AG-690/13774274
Basic information
- CAS
6044-39-9- Standard SMILES
CCOC(=O)c1c(NC(=O)c2ccccc2C)sc(C(=O)Nc2ccccc2F)c1C- InChIKey
PYZXARQLHJOCQI-UHFFFAOYSA-N- Molecular formula
- C23H21FN2O4S
- Average molar mass
- 440.5 g/mol
- Monoisotopic mass
- 440.12060649
Names & identifiers
- Preferred name
- AG-690/13774274
- IUPAC
- ethyl 5-[(2-fluorophenyl)carbamoyl]-4-methyl-2-[(2-methylbenzoyl)amino]thiophene-3-carboxylate
Names & synonyms
6044-39-9DTXSID60360536AG-690/13774274RefChem:317372DTXCID00311587ZINC861338ethyl 5-[(2-fluoroanilino)carbonyl]-4-methyl-2-[(2-methylbenzoyl)amino]-3-thiophenecarboxylateETHYL 5-[(2-FLUOROPHENYL)CARBAMOYL]-4-METHYL-2-(2-METHYLBENZAMIDO)THIOPHENE-3-CARBOXYLATEZINC00861338CBMicro_041710ethyl 5-[(2-fluorophenyl)carbamoyl]-4-methyl-2-[(2-methylbenzoyl)amino]thiophene-3-carboxylateOprea1_249771
Show more names
Oprea1_647440MFCD01824271STK036732AKOS000660784BIM-0041840.P001ZINC000000861338ST50722435SR-01000431179
Database identifiers
- CAS
6044-39-9- PubChem CID
- 1123345
- DTXSID
DTXSID60360536
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 663
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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