Basic information
- Standard SMILES
O=C([C@H](Cc1ccc(O)cc1)NS(=O)(=O)c1cccc2cnccc12)N1CCN(CCCc2ccccc2)CC1- InChIKey
AWANOYSXMOCJRM-LJAQVGFWSA-N- Molecular formula
- C31H34N4O4S
- Average molar mass
- 558.7 g/mol
Names & identifiers
- Preferred name
- 1-[N-(5-Isoquinolinesulfonyl)Tyrosyl]-4-(3-Phenylpropyl)Piperazine
- IUPAC
- N-[(2S)-3-(4-hydroxyphenyl)-1-oxo-1-[4-(3-phenylpropyl)piperazin-1-yl]propan-2-yl]isoquinoline-5-sulfonamide
Names & synonyms
SCHEMBL9483129AWANOYSXMOCJRM-LJAQVGFWSA-N1-[N-(5-Isoquinolinesulfonyl)Tyrosyl]-4-(3-Phenylpropyl)Piperazine1-[N-(5-Isoquinolinesulfonyl) tyrosyl]-4-(3-phenylpropyl)piperazine
Database identifiers
- PubChem CID
- 53665124
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 890
Related reactions
3 records
Compound notes
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