N-(4-Chlorophenyl)-4-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)-1-piperazinecarboxamide
Basic information
- CAS
1216522-90-5- Standard SMILES
CCc1cc2c(N3CCN(C(=O)Nc4ccc(Cl)cc4)CC3)nc(C)nc2s1- InChIKey
VFUFMWDXXZQHJT-UHFFFAOYSA-N- Molecular formula
- C20H22ClN5OS
- Average molar mass
- 415.9 g/mol
- Monoisotopic mass
- 415.1233592
Names & identifiers
- Preferred name
- N-(4-Chlorophenyl)-4-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)-1-piperazinecarboxamide
- IUPAC
- N-(4-chlorophenyl)-4-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxamide
Names & synonyms
DTXSID301121686N-(4-Chlorophenyl)-4-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)-1-piperazinecarboxamide1216522-90-5N-(4-Chlorophenyl)-4-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxamide
Database identifiers
- CAS
1216522-90-5- PubChem CID
- 39073302
- DTXSID
DTXSID301121686
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 89.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 539
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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