Basic information
- Standard SMILES
CC(C)(C)OC(=O)NC1(c2ccc(-c3c(-c4nc5ccccc5o4)nc4n3-c3cccnc3Nc3ccccc3-4)cc2)CCC1- InChIKey
VLIPEKSQSIEOKW-UHFFFAOYSA-N- Molecular formula
- C36H32N6O3
- Average molar mass
- 596.7 g/mol
- Monoisotopic mass
- 596.2535889
Names & identifiers
- Preferred name
- tert-Butyl (1-{4-[2-(1,3-benzoxazol-2-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-(1,3-benzoxazol-2-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
VLIPEKSQSIEOKW-UHFFFAOYSA-Ntert-Butyl (1-{4-[2-(1,3-benzoxazol-2-yl)-9H-imidazo[1,2-d]pyrido[2,3-b][1,4]benzodiazepin-3-yl]phenyl}cyclobutyl)carbamate
Database identifiers
- PubChem CID
- 86664673
Properties
Computed structural properties
- XLogP
- 7.6
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 1,060
Related reactions
3 records
Compound notes
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