methyl 5-amino-4-[7-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoate
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Basic information
- Standard SMILES
COC(=O)CCC(C(N)=O)N1Cc2c(OCc3nc(CN4CCOCC4)cs3)cccc2C1=O- InChIKey
RXSOKSJJOAMMAT-UHFFFAOYSA-N- Molecular formula
- C23H28N4O6S
- Average molar mass
- 488.6 g/mol
Names & identifiers
- Preferred name
- methyl 5-amino-4-[7-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoate
- IUPAC
- methyl 5-amino-4-[7-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoate
Names & synonyms
SCHEMBL2249883
Database identifiers
- PubChem CID
- 67334166
Properties
Computed structural propertiesFilling in
- XLogP
- 0.1
- Topological polar surface area
- 153 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 11
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 736
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Related reactions
2 records
Compound notes
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