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Basic information
- Standard SMILES
CC(C)(C)OC(=O)NC1(c2ccc(-c3c(-c4ccc5cnccc5c4)nc4n3-c3cccnc3Nc3ccccc3-4)cc2)CCC1- InChIKey
WAUBZXPLGAXDCJ-UHFFFAOYSA-N- Molecular formula
- C38H34N6O2
- Average molar mass
- 606.7 g/mol
- Monoisotopic mass
- 606.27432435
Names & identifiers
- Preferred name
- tert-Butyl {1-[4-(2-isoquinolin-6-yl-9H-imidazo[1,2-d]pyrido[2,3-b][1,4]benzodiazepin-3-yl)phenyl]cyclobutyl}carbamate
- IUPAC
- tert-butyl N-[1-[4-(4-isoquinolin-6-yl-2,5,13,15-tetrazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),3,5,7,9,11,15,17-octaen-3-yl)phenyl]cyclobutyl]carbamate
Names & synonyms
SCHEMBL10215972WAUBZXPLGAXDCJ-UHFFFAOYSA-Ntert-Butyl {1-[4-(2-isoquinolin-6-yl-9H-imidazo[1,2-d]pyrido[2,3-b][1,4]benzodiazepin-3-yl)phenyl]cyclobutyl}carbamate
Database identifiers
- PubChem CID
- 68067390
Properties
Computed structural propertiesFilling in
- XLogP
- 7.9
- Topological polar surface area
- 94 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 1,070
Related reactions
3 records
Compound notes
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