Basic information
- Standard SMILES
COC(=O)C(C)(C)NC(=O)Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1- InChIKey
QJQDPQCAMRJXPJ-UHFFFAOYSA-N- Molecular formula
- C21H26N4O4
- Average molar mass
- 398.5 g/mol
Names & identifiers
- Preferred name
- methyl 2-methyl-2-[[3-[(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)methyl]phenyl]carbamoylamino]propanoate
- IUPAC
- methyl 2-methyl-2-[[3-[(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)methyl]phenyl]carbamoylamino]propanoate
Names & synonyms
SCHEMBL2206729QJQDPQCAMRJXPJ-UHFFFAOYSA-Nmethyl 2-methyl-2-[[3-[(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)methyl]phenyl]carbamoylamino]propanoate
Database identifiers
- PubChem CID
- 57786643
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 741
Related reactions
4 records
Linked notes
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