Basic information
- CAS
667884-31-3- Standard SMILES
CCOC(=O)N1CCc2c(sc3nc(SCc4ccc(F)cc4)n(N)c(=O)c23)C1- InChIKey
BUEXUXXIDYJNEE-UHFFFAOYSA-N- Molecular formula
- C19H19FN4O3S2
- Average molar mass
- 434.5 g/mol
- Monoisotopic mass
- 434.08826099
Names & identifiers
- Preferred name
- ethyl 3-amino-2-[(4-fluorobenzyl)sulfanyl]-4-oxo-3,5,6,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(4H)-carboxylate
- IUPAC
- ethyl 4-amino-5-[(4-fluorophenyl)methylsulfanyl]-3-oxo-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-triene-11-carboxylate
- English name
- ethyl 3-amino-2-[(4-fluorobenzyl)sulfanyl]-4-oxo-3,5,6,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(4H)-carboxylate
- Molecular formula
- C19H19FN4O3S2
- Molecular weight
- 434.5075632
Names & synonyms
ethyl 3-amino-2-[(4-fluorobenzyl)sulfanyl]-4-oxo-3,5,6,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(4H)-carboxylateAO-476/42169319ethyl 4-amino-5-[(4-fluorophenyl)methylsulfanyl]-3-oxo-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-triene-11-carboxylate
Database identifiers
- CAS
667884-31-3- PubChem CID
- 990384
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 142 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 674
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
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Compound notes
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