Isoquino(2,1-d)(1,4)benzodiazepin-6(7H)-one, 5,9,10,14b-tetrahydro-2-bromo-5-methyl-
Basic information
- CAS
19007-20-6- Standard SMILES
CN1C(=O)CN2CCc3ccccc3C2c2cc(Br)ccc21- InChIKey
FBSXUFZWLJDWFB-UHFFFAOYSA-N- Molecular formula
- C18H17BrN2O
- Average molar mass
- 357.2 g/mol
- Monoisotopic mass
- 356.05243
Names & identifiers
- Preferred name
- Isoquino(2,1-d)(1,4)benzodiazepin-6(7H)-one, 5,9,10,14b-tetrahydro-2-bromo-5-methyl-
- IUPAC
- 2-bromo-5-methyl-7,9,10,14b-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepin-6-one
- English name
- 2-Bromo-5,9,10,14b-tetrahydro-5-methylisoquino[2,1-d][1,4]benzodiazepin-6(7H)-one
- Molecular weight
- 0
Names & synonyms
BRN 399365819007-20-62-Bromo-5-methyl-6,7,9,10-tetrahydro-5H-isoquino(2,1-d)(1,4)benzodiazepin-6-oneIsoquino(2,1-d)(1,4)benzodiazepin-6(7H)-one, 5,9,10,14b-tetrahydro-2-bromo-5-methyl-RefChem:3498512-bromo-5-methyl-7,9,10,14b-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepin-6-one2-Bromo-5,9,10,14b-tetrahydro-5-methylisoquino[2,1-d][1,4]benzodiazepin-6(7H)-oneDTXSID309405412-Bromo-5-methyl-5,9,10,14b-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepin-6(7H)-one
Database identifiers
- CAS
19007-20-6- PubChem CID
- 29377
- DTXSID
DTXSID30940541- Nikkaji
- J41.113B
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 23.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 443
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Compound notes
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