Basic information
- Standard SMILES
Cc1ccc(-c2cc3cc(CN4CCN(CCO)CC4)ccc3n2C(=O)OC(C)(C)C)c2c1CNC2=O- InChIKey
CKJYVAIILZGTRI-UHFFFAOYSA-N- Molecular formula
- C29H36N4O4
- Average molar mass
- 504.6 g/mol
Names & identifiers
- Preferred name
- 4-Methyl-7-(1-(tert-butoxycarbonyl)-5-[4-(2-hydroxyethyl)pyperazin-1-ylmethyl]indol-2-yl)isoindolinone
- IUPAC
- tert-butyl 5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-(7-methyl-3-oxo-1,2-dihydroisoindol-4-yl)indole-1-carboxylate
Names & synonyms
SCHEMBL3144005CKJYVAIILZGTRI-UHFFFAOYSA-N4-methyl-7-(1-(tert-butoxycarbonyl)-5-[4-(2-hydroxyethyl)pyperazin-1-ylmethyl]indol-2-yl)isoindolinone
Database identifiers
- PubChem CID
- 68527622
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 87 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 823
Related reactions
1 records
Compound notes
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