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Basic information
- Standard SMILES
Cc1cc(C(Nc2cccc(C(N)=O)c2)C(=O)O)ccc1CCOC(=O)Nc1cccc(C(C)NC(=O)OCc2ccccc2)c1- InChIKey
HCXGFJFKYACLSH-UHFFFAOYSA-N- Molecular formula
- C35H36N4O7
- Average molar mass
- 624.7 g/mol
- Monoisotopic mass
- 624.2583995
Names & identifiers
- IUPAC
- 2-(3-carbamoylanilino)-2-[3-methyl-4-[2-[[3-[1-(phenylmethoxycarbonylamino)ethyl]phenyl]carbamoyloxy]ethyl]phenyl]acetic acid
Database identifiers
- PubChem CID
- 76580865
Properties
Computed structural propertiesFilling in
- XLogP
- 5.4
- Topological polar surface area
- 169 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 15
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 1,010
Related reactions
1 records
Compound notes
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