Methyl 2-((tert-butoxycarbonyl)amino)-3-(4-(5-(4-(heptyloxy)phenyl)thiazol-2-yl)phenyl)propanoate
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Basic information
- Standard SMILES
CCCCCCCOc1ccc(-c2cnc(-c3ccc(CC(NC(=O)OC(C)(C)C)C(=O)OC)cc3)s2)cc1- InChIKey
ARPKOXRCODNPMS-UHFFFAOYSA-N- Molecular formula
- C31H40N2O5S
- Average molar mass
- 552.7 g/mol
Names & identifiers
- Preferred name
- Methyl 2-((tert-butoxycarbonyl)amino)-3-(4-(5-(4-(heptyloxy)phenyl)thiazol-2-yl)phenyl)propanoate
- IUPAC
- methyl 3-[4-[5-(4-heptoxyphenyl)-1,3-thiazol-2-yl]phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
Names & synonyms
SCHEMBL15019864ARPKOXRCODNPMS-UHFFFAOYSA-Nmethyl 2-((tert-butoxycarbonyl)amino)-3-(4-(5-(4-(heptyloxy)phenyl) thiazol-2-yl)phenyl)propanoatemethyl 2-((tert-butoxycarbonyl)amino)-3-(4-(5-(4-(heptyloxy)phenyl)thiazol-2-yl)phenyl)propanoate
Database identifiers
- PubChem CID
- 89620405
Properties
Computed structural propertiesFilling in
- XLogP
- 8
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 16
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 729
Related reactions
2 records
Compound notes
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