Basic information
- Standard SMILES
CC(C)(C)OC(=O)n1c(-c2cc(OCCCN3CCC(CO)CC3)c(Cl)c3c2C(=O)NC3)cc2cc(CN3CCCCC3)ccc21- InChIKey
XQIYERXMUCZJIS-UHFFFAOYSA-N- Molecular formula
- C36H47ClN4O5
- Average molar mass
- 651.2 g/mol
Names & identifiers
- Preferred name
- 4-Chloro-5-[3-(4-hydroxymethylpiperidin-1-yl)propoxy]-7-[1-(tert-butoxycarbonyl)-5-(piperidin-1-ylmethyl)indol-2-yl]isoindolinone
- IUPAC
- tert-butyl 2-[7-chloro-6-[3-[4-(hydroxymethyl)piperidin-1-yl]propoxy]-3-oxo-1,2-dihydroisoindol-4-yl]-5-(piperidin-1-ylmethyl)indole-1-carboxylate
Names & synonyms
SCHEMBL3042343XQIYERXMUCZJIS-UHFFFAOYSA-N4-chloro-5-[3-(4-hydroxymethylpiperidin-1-yl)propoxy]-7-[1-(tert-butoxycarbonyl)-5-(piperidin-1-ylmethyl)indol-2-yl]isoindolinone
Database identifiers
- PubChem CID
- 68490247
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 96.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 1,030
Related reactions
1 records
Compound notes
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