Basic information
- Standard SMILES
CC(C)(CO)NCCCOc1cc(-c2cc3cc(CN4CCCCC4)ccc3n2C(=O)OC(C)(C)C)c2c(c1Cl)CNC2=O- InChIKey
XKCICOTWHZBAFV-UHFFFAOYSA-N- Molecular formula
- C34H45ClN4O5
- Average molar mass
- 625.2 g/mol
Names & identifiers
- Preferred name
- 4-Chloro-5-[3-(1-hydroxy-2-methyl-2-propylamino)propoxy]-7-[1-(tert-butoxycarbonyl)-5-(piperidin-1-ylmethyl)indol-2-yl]isoindolinone
- IUPAC
- tert-butyl 2-[7-chloro-6-[3-[(1-hydroxy-2-methylpropan-2-yl)amino]propoxy]-3-oxo-1,2-dihydroisoindol-4-yl]-5-(piperidin-1-ylmethyl)indole-1-carboxylate
Names & synonyms
SCHEMBL3042563XKCICOTWHZBAFV-UHFFFAOYSA-N4-chloro-5-[3-(1-hydroxy-2-methyl-2-propylamino)propoxy]-7-[1-(tert-butoxycarbonyl)-5-(piperidin-1-ylmethyl)indol-2-yl]isoindolinone
Database identifiers
- PubChem CID
- 68490334
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 12
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 985
Related reactions
1 records
Compound notes
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