2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-5-methyl-4-phenylthiophene-3-carboxylic acid
Basic information
- CAS
1217863-68-7- Standard SMILES
Cc1sc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(C(=O)O)c1-c1ccccc1- InChIKey
DIYPYHHQIAPIME-UHFFFAOYSA-N- Molecular formula
- C27H21NO4S
- Average molar mass
- 455.5 g/mol
- Monoisotopic mass
- 455.11912932
Names & identifiers
- Preferred name
- 2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-5-methyl-4-phenylthiophene-3-carboxylic acid
- IUPAC
- 2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-methyl-4-phenylthiophene-3-carboxylic acid
Names & synonyms
1217863-68-72-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-5-methyl-4-phenylthiophene-3-carboxylic acid2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-5-methyl-4-phenylthiophene-3-carboxylic acidC27H21NO4SDTXSID201124568CS-0455622I80582EN300-6737353F7759512-(9H-fluoren-9-ylmethoxycarbonylamino)-5-methyl-4-phenyl-thiophene-3-carboxylic acid2-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid
Database identifiers
- CAS
1217863-68-7- PubChem CID
- 73995263
- DTXSID
DTXSID201124568
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 688
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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