Basic information
- Standard SMILES
CCCCCc1ccc(C(=O)Nc2ccc(-c3csc(C(=O)NC(C(=O)OC)C(C)C)n3)cc2)cc1- InChIKey
VSWNGZYPWVVDIU-UHFFFAOYSA-N- Molecular formula
- C28H33N3O4S
- Average molar mass
- 507.6 g/mol
- Monoisotopic mass
- 507.21917772
Names & identifiers
- Preferred name
- Methyl 3-methyl-2-(4-(4-(4-pentylbenzamido)phenyl)thiazole-2-carboxamido)butanoate
- IUPAC
- methyl 3-methyl-2-[[4-[4-[(4-pentylbenzoyl)amino]phenyl]-1,3-thiazole-2-carbonyl]amino]butanoate
Names & synonyms
SCHEMBL1756247VSWNGZYPWVVDIU-UHFFFAOYSA-NMethyl 3-methyl-2-(4-(4-(4-pentylbenzamido)phenyl)thiazole-2-carboxamido)butanoate
Database identifiers
- PubChem CID
- 52935488
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 718
Related reactions
1 records
Compound notes
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