Basic information
- Standard SMILES
CC(C)(C)OC(=O)NC1(c2ccc(-c3c(-c4ccc(CN5CCOCC5)cc4)nc4n3-c3cccnc3Nc3ccccc3-4)cc2)CCC1- InChIKey
DIEWILUTNPQRCW-UHFFFAOYSA-N- Molecular formula
- C40H42N6O3
- Average molar mass
- 654.8 g/mol
- Monoisotopic mass
- 654.33183922
Names & identifiers
- Preferred name
- tert-butyl[1-(4-{2-[4-(morpholin-4-ylmethyl)phenyl]-9H-imidazo[1,2-d]pyrido[2,3-b][1,4]benzodiazepin-3-yl}phenyl)cyclobutyl]carbamate
- IUPAC
- tert-butyl N-[1-[4-[4-[4-(morpholin-4-ylmethyl)phenyl]-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
SCHEMBL4549939DIEWILUTNPQRCW-UHFFFAOYSA-Ntert-butyl[1-(4-{2-[4-(morpholin-4-ylmethyl)phenyl]-9H-imidazo[1,2-d]pyrido[2,3-b][1,4]benzodiazepin-3-yl}phenyl)cyclobutyl]carbamate
Database identifiers
- PubChem CID
- 69087640
Properties
Computed structural properties
- XLogP
- 7.2
- Topological polar surface area
- 93.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 49
- Formal charge
- 0
- Complexity
- 1,110
Related reactions
2 records
Compound notes
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