Basic information
- Standard SMILES
CCOC(=O)N1CCN(C(=O)C(CCC(=O)OC(C)(C)C)NC(=O)c2cc(-n3ccnc3)nc(-c3ccccc3)n2)CC1- InChIKey
RKMUHMXZGOTKRN-UHFFFAOYSA-N- Molecular formula
- C30H37N7O6
- Average molar mass
- 591.7 g/mol
- Monoisotopic mass
- 591.28053193
Names & identifiers
- Preferred name
- Ethyl 4-[2-[(6-imidazol-1-yl-2-phenylpyrimidine-4-carbonyl)amino]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoyl]piperazine-1-carboxylate
- IUPAC
- ethyl 4-[2-[(6-imidazol-1-yl-2-phenylpyrimidine-4-carbonyl)amino]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoyl]piperazine-1-carboxylate
Names & synonyms
SCHEMBL2584444
Database identifiers
- PubChem CID
- 67463167
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 149 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 12
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 961
Related reactions
1 records
Compound notes
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