Basic information
- Standard SMILES
CC(C)(C)OC(=O)NC1(c2ccc(-c3c(-c4cccc([N+](=O)[O-])c4)nc4n3-c3cccnc3Nc3ccccc3-4)cc2)CCC1- InChIKey
MZUMIKGPHMYADL-UHFFFAOYSA-N- Molecular formula
- C35H32N6O4
- Average molar mass
- 600.7 g/mol
Names & identifiers
- Preferred name
- tert-Butyl (1-{4-[2-(3-nitrophenyl)-9H-imidazo[1,2-d]pyrido[2,3-b][1,4]benzodiazepin-3-yl]phenyl}cyclobutyl)carbamate
- IUPAC
- tert-butyl N-[1-[4-[4-(3-nitrophenyl)-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
SCHEMBL4549962MZUMIKGPHMYADL-UHFFFAOYSA-Ntert-Butyl (1-{4-[2-(3-nitrophenyl)-9H-imidazo[1,2-d]pyrido[2,3-b][1,4]benzodiazepin-3-yl]phenyl}cyclobutyl)carbamate
Database identifiers
- PubChem CID
- 69087657
Properties
Computed structural properties
- XLogP
- 7.6
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 1,070
Related reactions
2 records
Compound notes
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