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Basic information
- Standard SMILES
CN1CCN(C(=O)C(C)(C)Oc2ccc(-n3c(C(=O)O)cc4cc(-c5ccc(C(C)(C)C)cc5)ccc43)cc2)CC1.Cl- InChIKey
ICHXVTXFWXMGER-UHFFFAOYSA-N- Molecular formula
- C34H40ClN3O4
- Average molar mass
- 590.1 g/mol
- Monoisotopic mass
- 589.2707345
Names & identifiers
- Preferred name
- 5-(4-tert-Butylphenyl)-1-(4-(2-methyl-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yloxy)phenyl)indole-2-carboxylic acid hydrochloride
- IUPAC
- 5-(4-tert-butylphenyl)-1-[4-[2-methyl-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]oxyphenyl]indole-2-carboxylic acid;hydrochloride
Names & synonyms
SCHEMBL3572427ICHXVTXFWXMGER-UHFFFAOYSA-N5-(4-tert-Butylphenyl)-1-(4-(2-methyl-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yloxy)phenyl)indole-2-carboxylic acid hydrochloride
Database identifiers
- PubChem CID
- 68697296
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 75 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 907
Related reactions
1 records
Compound notes
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