Basic information
- Standard SMILES
CCOc1ccc(-c2cnc(N)nc2)cc1CN(C(=O)c1sc2ccccc2c1Cl)C1CCC(NC)CC1.Cl.Cl- InChIKey
CJFIXZIPNWUPHK-UHFFFAOYSA-N- Molecular formula
- C29H34Cl3N5O2S
- Average molar mass
- 623 g/mol
Names & identifiers
- Preferred name
- 3-Chloro-benzo[b]thiophene-2-carboxylic acid [5-(2-amino-pyrimidin-5-yl)-2-ethoxy-benzyl]-(4-methylamino-cyclohexyl)-amide dihydrochloride
- IUPAC
- N-[[5-(2-aminopyrimidin-5-yl)-2-ethoxyphenyl]methyl]-3-chloro-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;dihydrochloride
Names & synonyms
SCHEMBL12542417CJFIXZIPNWUPHK-UHFFFAOYSA-N3-Chloro-benzo[b]thiophene-2-carboxylic acid [5-(2-amino-pyrimidin-5-yl)-2-ethoxy-benzyl]-(4-methylamino-cyclohexyl)-amide dihydrochloride3-Chloro-benzo[b]thiophene-2-carboxylic acid[5-(2-amino-pyrimidin-5-yl)-2-ethoxy-benzyl]-(4-methylamino-cyclohexyl)-amide dihydrochloride
Database identifiers
- PubChem CID
- 68314432
Properties
Computed structural properties
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 763
Related reactions
1 records
Compound notes
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