Basic information
- Standard SMILES
CN(C(=O)OC(C)(C)C)c1cccc(C(=O)Nc2ncn(Cc3ccc(C(C)(C)C)cc3)c2C(N)=O)c1- InChIKey
IGQZOAIPPNTUFT-UHFFFAOYSA-N- Molecular formula
- C28H35N5O4
- Average molar mass
- 505.6 g/mol
- Monoisotopic mass
- 505.26890461
Names & identifiers
- Preferred name
- 1-(4-t-butylbenzyl)-4-(3-(N-t-butyloxycarbonyl-N-methylamino)benzoylamino)-5-imidazolecarboxamide
- IUPAC
- tert-butyl N-[3-[[1-[(4-tert-butylphenyl)methyl]-5-carbamoylimidazol-4-yl]carbamoyl]phenyl]-N-methylcarbamate
Names & synonyms
SCHEMBL7974186IGQZOAIPPNTUFT-UHFFFAOYSA-N1-(4-t-butylbenzyl)-4-(3-(N-t-butyloxycarbonyl-N-methylamino)benzoylamino)-5-imidazolecarboxamide
Database identifiers
- PubChem CID
- 18360202
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 812
Related reactions
2 records
Compound notes
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