Basic information
- Standard SMILES
COC(=O)CCc1ccc(-c2nc3n(c2-c2ccc(C4(N)CCC4)cc2)-c2cccnc2Nc2ccccc2-3)cc1- InChIKey
XBBKOAWCLPGKBK-UHFFFAOYSA-N- Molecular formula
- C34H31N5O2
- Average molar mass
- 541.6 g/mol
- Monoisotopic mass
- 541.24777525
Names & identifiers
- Preferred name
- methyl 3-(4-{3-[4-(1-aminocyclobutyl)phenyl]-9H-imidazo[1,2-d]pyrido[2,3-b][1,4]benzodiazepin-2-yl}phenyl)propanoate
- IUPAC
- methyl 3-[4-[3-[4-(1-aminocyclobutyl)phenyl]-2,5,13,15-tetrazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),3,5,7,9,11,15,17-octaen-4-yl]phenyl]propanoate
Names & synonyms
SCHEMBL2700753XBBKOAWCLPGKBK-UHFFFAOYSA-Nmethyl 3-(4-{3-[4-(1-aminocyclobutyl)phenyl]-9H-imidazo[1,2-d]pyrido[2,3-b][1,4]benzodiazepin-2-yl}phenyl)propanoate
Database identifiers
- PubChem CID
- 56956263
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 95.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 896
Related reactions
1 records
Compound notes
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