5-(tert-butyloxycarbonylamino)-1-(chloromethyl)-3-trifluoroacetyl-1,2-dihydro-3H-benz[e]indole

HCID 10550504
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Basic information

Standard SMILES
CC(C)(C)OC(=O)Nc1cc2c(c3ccccc13)C(CCl)CN2C(=O)C(F)(F)F
InChIKey
BFVTXPGXTXLCLF-UHFFFAOYSA-N
Molecular formula
C20H20ClF3N2O3
Average molar mass
428.8 g/mol

Names & identifiers

Preferred name
5-(tert-butyloxycarbonylamino)-1-(chloromethyl)-3-trifluoroacetyl-1,2-dihydro-3H-benz[e]indole
IUPAC
tert-butyl N-[1-(chloromethyl)-3-(2,2,2-trifluoroacetyl)-1,2-dihydrobenzo[e]indol-5-yl]carbamate

Names & synonyms

5-(tert-butyloxycarbonylamino)-1-(chloromethyl)-3-trifluoroacetyl-1,2-dihydro-3H-benz[e]indoleSCHEMBL6207233

Database identifiers

PubChem CID
10550504

Properties

Computed structural properties

XLogP
4.6
Topological polar surface area
58.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
29

Related reactions

2 records
New reaction record

Compound notes

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