Basic information
- CAS
134106-77-7- Standard SMILES
COC(=O)c1c(C)[nH]c2c(OC(=O)N3CCCC3)cc3c(c12)C(CBr)CN3C(=O)c1cc2cc(OC)c(OC)c(OC)c2[nH]1- InChIKey
LIQXNGVTTAMQFQ-UHFFFAOYSA-N- Molecular formula
- C31H33BrN4O8
- Average molar mass
- 669.5 g/mol
- Monoisotopic mass
- 668.14818
Names & identifiers
- Preferred name
- Benzo(1,2-b:4,3-b')dipyrrole-1-carboxylic acid, 3,6,7,8-tetrahydro-8-(bromomethyl)-2-methyl-4-((1-pyrrolidinylcarbonyl)oxy)-6-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester
- IUPAC
- methyl 8-(bromomethyl)-2-methyl-4-(pyrrolidine-1-carbonyloxy)-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-1-carboxylate
Names & synonyms
134106-77-7Benzo(1,2-b:4,3-b')dipyrrole-1-carboxylic acid, 3,6,7,8-tetrahydro-8-(bromomethyl)-2-methyl-4-((1-pyrrolidinylcarbonyl)oxy)-6-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl esterRefChem:326007DTXSID70928449Methyl 8-(bromomethyl)-2-methyl-4-[(pyrrolidine-1-carbonyl)oxy]-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-3,6,7,8-tetrahydropyrrolo[3,2-e]indole-1-carboxylate
Database identifiers
- CAS
134106-77-7- PubChem CID
- 3077333
- DTXSID
DTXSID70928449
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 1,080
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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