Basic information
- Standard SMILES
CCOC(=O)CC(c1ccccc1)c1c[nH]c2cc(OCCCN(C(=O)OCC(Cl)(Cl)Cl)c3ccccn3)ccc12- InChIKey
ADCNALFPBJPEBU-UHFFFAOYSA-N- Molecular formula
- C30H30Cl3N3O5
- Average molar mass
- 618.9 g/mol
Names & identifiers
- Preferred name
- Ethyl 3-phenyl-3-(6-{3-[(pyridin-2-yl)(2,2,2-trichloroethoxycarbonyl) amino]propoxy}indol-3-yl)propionate
- IUPAC
- ethyl 3-phenyl-3-[6-[3-[pyridin-2-yl(2,2,2-trichloroethoxycarbonyl)amino]propoxy]-1H-indol-3-yl]propanoate
Names & synonyms
SCHEMBL6163501ADCNALFPBJPEBU-UHFFFAOYSA-Nethyl 3-phenyl-3-(6-{3-[(pyridin-2-yl)(2,2,2-trichloroethoxycarbonyl) amino]propoxy}indol-3-yl)propionateethyl 3-phenyl-3-(6-{3-[(pyridin-2-yl)(2,2,2-trichloroethoxycarbonyl)amino]propoxy}indol-3-yl)propionate
Database identifiers
- PubChem CID
- 15549283
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 93.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 14
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 826
Related reactions
2 records
Compound notes
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