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Basic information
- Standard SMILES
Cc1c(CN(C)C(=O)/C=C/c2cnc(N)c(CN3CCN(C)CC3)c2)sc2ccccc12.Cl- InChIKey
RTWTUQJHFKDBTQ-HRNDJLQDSA-N- Molecular formula
- C25H32ClN5OS
- Average molar mass
- 486.1 g/mol
Names & identifiers
- Preferred name
- (E)-3-[6-Amino-5-(4-methyl-piperazin-1-ylmethyl)pyridin-3-yl]-N-methyl-N-(3-methyl-benzo[b]thiophen-2-ylmethyl)acrylamide hydrochloride
- IUPAC
- (E)-3-[6-amino-5-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-N-methyl-N-[(3-methyl-1-benzothiophen-2-yl)methyl]prop-2-enamide;hydrochloride
Names & synonyms
SCHEMBL1251715RTWTUQJHFKDBTQ-HRNDJLQDSA-N(E)-3-[6-Amino-5-(4-methyl-piperazin-1-ylmethyl)pyridin-3-yl]-N-methyl-N-(3-methyl-benzo[b]thiophen-2-ylmethyl)acrylamide hydrochloride
Database identifiers
- PubChem CID
- 10074130
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 93.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 652
Related reactions
2 records
Compound notes
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