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Basic information
- Standard SMILES
CC(O/N=C(\C(=O)O)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1)C(=O)OC(C)(C)C- InChIKey
QJCKSIBRMGEZBX-CLIDGEQKSA-N- Molecular formula
- C31H31N3O5S
- Average molar mass
- 557.7 g/mol
Names & identifiers
- Preferred name
- (2Z)-2-[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetic acid
- IUPAC
- (2Z)-2-[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetic acid
Names & synonyms
SCHEMBL9022109
Database identifiers
- PubChem CID
- 15917685
Properties
Computed structural propertiesFilling in
- XLogP
- 7.6
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 12
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 827
Related reactions
1 records
Compound notes
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