Basic information
- Standard SMILES
CCC(C#N)(CC)c1ccc(C(=O)Nc2ccc(-c3cnc(C(=O)NC(C(=O)OC)C(C)C)s3)cc2)cc1- InChIKey
UGYOPIRASYSRNL-UHFFFAOYSA-N- Molecular formula
- C29H32N4O4S
- Average molar mass
- 532.7 g/mol
- Monoisotopic mass
- 532.21442669
Names & identifiers
- Preferred name
- Methyl 2-(5-(4-(4-(3-cyanopentan-3-yl)benzamido)phenyl)thiazole-2-carboxamido)-3-methylbutanoate
- IUPAC
- methyl 2-[[5-[4-[[4-(3-cyanopentan-3-yl)benzoyl]amino]phenyl]-1,3-thiazole-2-carbonyl]amino]-3-methylbutanoate
Names & synonyms
SCHEMBL1756216UGYOPIRASYSRNL-UHFFFAOYSA-NMethyl 2-(5-(4-(4-(3-cyanopentan-3-yl)benzamido)phenyl)thiazole-2-carboxamido)-3-methylbutanoate
Database identifiers
- PubChem CID
- 52934136
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 149 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 867
Related reactions
1 records
Compound notes
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