Basic information
- Standard SMILES
CC(C)(C)OC(=O)Nc1ccc(C#Cc2ccccc2)cc1NC(=O)CC(=O)c1cccc(-c2ccccn2)c1- InChIKey
YCONOJOKKYQKBM-UHFFFAOYSA-N- Molecular formula
- C33H29N3O4
- Average molar mass
- 531.6 g/mol
- Monoisotopic mass
- 531.21580641
Names & identifiers
- Preferred name
- {2-[3-Oxo-3-(3-pyridin-2-yl-phenyl)-propionylamino]-4-phenylethynyl-phenyl}-carbamic acid tert-butyl ester
- IUPAC
- tert-butyl N-[2-[[3-oxo-3-(3-pyridin-2-ylphenyl)propanoyl]amino]-4-(2-phenylethynyl)phenyl]carbamate
Names & synonyms
{2-[3-oxo-3-(3-pyridin-2-yl-phenyl)-propionylamino]-4-phenylethynyl-phenyl}-carbamic acid tert-butyl ester{2-[3-Oxo-3-(3-pyridin-2-yl-phenyl)-propionylamino}-4-phenylethynyl-phenyl]-carbamic acid tert-butyl esterSCHEMBL5558039YCONOJOKKYQKBM-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 86589331
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 97.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 938
Related reactions
4 records
Compound notes
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