Basic information
- Standard SMILES
CCC(CNC(=O)OC(C)(C)C)Oc1cc(F)ccc1Nc1ncnc2sc(C(=O)OC)c(C)c12- InChIKey
VFRCJRGEGLGWNP-UHFFFAOYSA-N- Molecular formula
- C24H29FN4O5S
- Average molar mass
- 504.6 g/mol
Names & identifiers
- Preferred name
- Methyl 4-(2-(1-(tert-butoxycarbonylamino)butan-2-yloxy)-4-fluorophenylamino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate
- IUPAC
- methyl 4-[4-fluoro-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yloxy]anilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
Names & synonyms
SCHEMBL2368657VFRCJRGEGLGWNP-UHFFFAOYSA-NMethyl 4-(2-(1-(tert-butoxycarbonylamino)butan-2-yloxy)-4-fluorophenylamino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylateMethyl 4-(2-(1-(tert-butoxycarbonylamino)butan-2yloxy)-4-fluorophenylamino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate
Database identifiers
- PubChem CID
- 58413368
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 11
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 727
Related reactions
1 records
Compound notes
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