Basic information
- Standard SMILES
COc1cccc2cc(-c3nc(NCCCN4CCN(C)CC4)ncc3Cl)sc12- InChIKey
UTVIGGSAYUBRIP-UHFFFAOYSA-N- Molecular formula
- C21H26ClN5OS
- Average molar mass
- 432 g/mol
- Monoisotopic mass
- 431.1546593
Names & identifiers
- Preferred name
- [5-Chloro-4-(7-methoxybenzo[b]thiophen-2-yl)-pyrimidin-2-yl]-[3-(4-methyl-piperazin-1-yl)-propyl]-amine
- IUPAC
- 5-chloro-4-(7-methoxy-1-benzothiophen-2-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]pyrimidin-2-amine
Names & synonyms
SCHEMBL3964419UTVIGGSAYUBRIP-UHFFFAOYSA-N[5-chloro-4-(7-methoxybenzo[b]thiophen-2-yl)-pyrimidin-2-yl]-[3-(4-methyl-piperazin-1-yl)-propyl]-amine
Database identifiers
- PubChem CID
- 68857035
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 81.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 509
Related reactions
2 records
Compound notes
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