Basic information
- Standard SMILES
COC(=O)c1ccc(C2(NC(=O)c3cc(Cl)cnc3N3CC(Oc4cccc(N5CCN(C(=O)OC(C)(C)C)CC5)c4)C3)CC2)cc1- InChIKey
SQIQALZOTGHMQE-UHFFFAOYSA-N- Molecular formula
- C35H40ClN5O6
- Average molar mass
- 662.2 g/mol
- Monoisotopic mass
- 661.2667117
Names & identifiers
- Preferred name
- Tert-butyl 4-(3-((1-(5-chloro-3-((1-(4-(methoxycarbonyl)phenyl)cyclopropyl)carbamoyl)pyridin-2-yl)azetidin-3-yl)oxy)phenyl)piperazine-1-carboxylate
- IUPAC
- tert-butyl 4-[3-[1-[5-chloro-3-[[1-(4-methoxycarbonylphenyl)cyclopropyl]carbamoyl]-2-pyridinyl]azetidin-3-yl]oxyphenyl]piperazine-1-carboxylate
Names & synonyms
1380754-72-2SCHEMBL9901624SQIQALZOTGHMQE-UHFFFAOYSA-NDA-10966tert-butyl 4-(3-((1-(5-chloro-3-((1-(4-(methoxycarbonyl)phenyl)cyclopropyl)carbamoyl)pyridin-2-yl)azetidin-3-yl)oxy)phenyl)piperazine-1-carboxylate
Database identifiers
- PubChem CID
- 67958770
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 11
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 1,110
Related reactions
2 records
Compound notes
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