Basic information
- CAS
730976-59-7- Standard SMILES
CCOC(=O)c1sc(N)c(C(=O)OCC)c1CNC(C)(C)C- InChIKey
RDKPGRITPXZEDP-UHFFFAOYSA-N- Molecular formula
- C15H24N2O4S
- Average molar mass
- 328.4 g/mol
- Monoisotopic mass
- 328.14567842
Names & identifiers
- Preferred name
- 2,4-Diethyl 5-amino-3-[(tert-butylamino)methyl]thiophene-2,4-dicarboxylate
- IUPAC
- diethyl 5-amino-3-[(tert-butylamino)methyl]thiophene-2,4-dicarboxylate
Names & synonyms
730976-59-72,4-diethyl 5-amino-3-[(tert-butylamino)methyl]thiophene-2,4-dicarboxylateDiethyl 5-amino-3-[(tert-butylamino)methyl]thiophene-2,4-dicarboxylateDiethyl 5-amino-3-((tert-butylamino)methyl)thiophene-2,4-dicarboxylateDTXSID201129568HMS1787D04SBB078091AKOS005136951EN300-07128G35935SR-01000047311SR-01000047311-1
Show more names
Z569460232,4-diethyl5-amino-3-[(tert-butylamino)methyl]thiophene-2,4-dicarboxylate2,4-Diethyl 5-amino-3-[[(1,1-dimethylethyl)amino]methyl]-2,4-thiophenedicarboxylateethyl 2-amino-4-{[(tert-butyl)amino]methyl}-5-(ethoxycarbonyl)thiophene-3-carb oxylate
Database identifiers
- CAS
730976-59-7- PubChem CID
- 2398073
- DTXSID
DTXSID201129568
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 397
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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