Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
COC(=O)C[C@@H]1Cc2cc(Br)c3[nH]ncc3c2CN(CC2CC2)C1=O- InChIKey
MIUFXYKTEVUSLL-LBPRGKRZSA-N- Molecular formula
- C18H20BrN3O3
- Average molar mass
- 406.3 g/mol
- Monoisotopic mass
- 405.0688
Names & identifiers
- Preferred name
- ((S)-4-Bromo-9-cyclopropylmethyl-8-oxo-3,6,7,8,9,10-hexahydro-2,3,9-triaza-cyclohept[e]inden-7-yl)-acetic acid methyl ester
- IUPAC
- methyl 2-[(7S)-4-bromo-9-(cyclopropylmethyl)-8-oxo-3,6,7,10-tetrahydropyrazolo[3,4-i][2]benzazepin-7-yl]acetate
Names & synonyms
SCHEMBL2209770MIUFXYKTEVUSLL-LBPRGKRZSA-N((S)-4-Bromo-9-cyclopropylmethyl-8-oxo-3,6,7,8,9,10-hexahydro-2,3,9-triaza-cyclohept[e]inden-7-yl)-acetic acid methyl ester((S)-4-Bromo-9-cyclopropylmethyl-8-oxo-3,6,7,8,9,10-hexahydro-2,3,9-triaza-cyclohepta[e]inden-7-yl)-acetic acid methyl ester
Database identifiers
- PubChem CID
- 59731925
Properties
Computed structural propertiesFilling in
- XLogP
- 2.1
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 542
Related reactions
12 records
Compound notes
Loading…