(5R,7R)-4-(4-(aminomethyl)-1'-benzylspiro[indoline-3,4'-piperidine]-1-yl)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-yl 4-nitrobenzoate trihydrochloride
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
C[C@@H]1C[C@@H](OC(=O)c2ccc([N+](=O)[O-])cc2)c2ncnc(N3CC4(CCN(Cc5ccccc5)CC4)c4c(CN)cccc43)c21.Cl.Cl.Cl- InChIKey
ODUDDEWEBVUODG-OORRTNDOSA-N- Molecular formula
- C35H39Cl3N6O4
- Average molar mass
- 714.1 g/mol
Names & identifiers
- Preferred name
- (5R,7R)-4-(4-(aminomethyl)-1'-benzylspiro[indoline-3,4'-piperidine]-1-yl)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-yl 4-nitrobenzoate trihydrochloride
- IUPAC
- [(5R,7R)-4-[4-(aminomethyl)-1'-benzylspiro[2H-indole-3,4'-piperidine]-1-yl]-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-yl] 4-nitrobenzoate;trihydrochloride
Names & synonyms
SCHEMBL6526217ODUDDEWEBVUODG-OORRTNDOSA-N(5R,7R)-4-(4-(aminomethyl)-1'-benzylspiro[indoline-3,4'-piperidine]-1-yl)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-yl 4-nitrobenzoate trihydrochloride
Database identifiers
- PubChem CID
- 69812752
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 1,030
Related reactions
4 records
Compound notes
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