Basic information
- Standard SMILES
CCCN(CCC)Cc1nc(-c2ncn3c2[C@@H]2CCCN2C(=O)c2c(Br)cccc2-3)no1- InChIKey
NPNAZAZAIKLPGE-KRWDZBQOSA-N- Molecular formula
- C23H27BrN6O2
- Average molar mass
- 499.4 g/mol
- Monoisotopic mass
- 498.13789
Names & identifiers
- Preferred name
- (S)-8-bromo-1-(5-dipropylaminomethyl-1,2,4-oxadiazol-3-yl)-11,12,13,13a-tetrahydro-9H-imidazo[1,5-a]pyrrolo[2,1-c][1,4]benzodiazepin-9-one
- IUPAC
- (7S)-14-bromo-5-[5-[(dipropylamino)methyl]-1,2,4-oxadiazol-3-yl]-2,4,11-triazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),3,5,13,15-pentaen-12-one
Names & synonyms
SCHEMBL7397544NPNAZAZAIKLPGE-KRWDZBQOSA-N(S)-8-bromo-1-(5-dipropylaminomethyl-1,2,4-oxadiazol-3-yl)-11,12,13,13a-tetrahydro-9H-imidazo[1,5-a]pyrrolo[2,1-c][1,4]benzodiazepin-9-one
Database identifiers
- PubChem CID
- 54123714
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 80.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 664
Related reactions
1 records
Compound notes
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