Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
O=C(C[C@@H]1CCN(C(=O)Nc2ccccc2F)C1)Nc1ccc2cc1CCc1cncc(c1)Nc1ncc(Cl)c(n1)N2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F- InChIKey
BQZOXIJFUXPHNO-TXEPZDRESA-N- Molecular formula
- C34H30ClF7N8O6
- Average molar mass
- 815.1 g/mol
- Monoisotopic mass
- 814.1865055
Names & identifiers
- Preferred name
- (3S)-3-(2-{[6-Chloro-2,4,8,18,22-pentaazatetracyclo[14.3.1.1(3,7).1(9,13)]docosa-1(20),3(22),4,6,9(21),10,12,16,18-nonaen-12-yl]amino}-2-oxoethyl)-N-(2-fluorophenyl)pyrrolidine-1-carboxamide bis(trifluoroacetate)
- IUPAC
- (3S)-3-[2-[(6-chloro-2,4,8,18,22-pentazatetracyclo[14.3.1.13,7.19,13]docosa-1(19),3,5,7(22),9(21),10,12,16(20),17-nonaen-12-yl)amino]-2-oxoethyl]-N-(2-fluorophenyl)pyrrolidine-1-carboxamide;bis(2,2,2-trifluoroacetic acid)
Names & synonyms
(3S)-3-(2-{[6-Chloro-2,4,8,18,22-pentaazatetracyclo[14.3.1.1(3,7).1(9,13)]docosa-1(20),3(22),4,6,9(21),10,12,16,18-nonaen-12-yl]amino}-2-oxoethyl)-N-(2-fluorophenyl)pyrrolidine-1-carboxamide bis(trifluoroacetate)SCHEMBL4359103
Database identifiers
- PubChem CID
- 86636331
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 199 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 18
- Rotatable bonds
- 4
- Heavy atoms
- 56
- Formal charge
- 0
- Complexity
- 1,020
Related reactions
1 records
Compound notes
Loading…