Benzo(1,2-b:4,3-b')dipyrrole-1-carboxylic acid, 3,6,7,8-tetrahydro-8-(bromomethyl)-4-(((dimethylamino)carbonyl)oxy)-2-methyl-6-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester

HCID 3077331

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Basic information

CAS: 134106-75-5
Standard SMILES: COC(=O)c1c(C)[nH]c2c(OC(=O)N(C)C)cc3c(c12)C(CBr)CN3C(=O)c1cc2cc(OC)c(OC)c(OC)c2[nH]1
InChIKey: JILNPPDAXLHKAM-UHFFFAOYSA-N
Molecular formula: C29H31BrN4O8
Average molar mass: 643.5 g/mol
Monoisotopic mass: 642.13253

Names & identifiers

Preferred name: Benzo(1,2-b:4,3-b')dipyrrole-1-carboxylic acid, 3,6,7,8-tetrahydro-8-(bromomethyl)-4-(((dimethylamino)carbonyl)oxy)-2-methyl-6-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester
IUPAC: methyl 8-(bromomethyl)-4-(dimethylcarbamoyloxy)-2-methyl-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-1-carboxylate

Names & synonyms

134106-75-5Benzo(1,2-b:4,3-b')dipyrrole-1-carboxylic acid, 3,6,7,8-tetrahydro-8-(bromomethyl)-4-(((dimethylamino)carbonyl)oxy)-2-methyl-6-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl esterRefChem:326009DTXSID50928447Methyl 8-(bromomethyl)-4-[(dimethylcarbamoyl)oxy]-2-methyl-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-3,6,7,8-tetrahydropyrrolo[3,2-e]indole-1-carboxylate

Database identifiers

CAS: 134106-75-5
PubChem CID: 3077331
DTXSID: DTXSID50928447

Properties

Computed structural properties

XLogP: 4
Topological polar surface area: 135 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 8
Rotatable bonds: 9
Heavy atoms: 42
Formal charge: 0
Complexity: 1,020

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