Lwy5KS8CM2
Basic information
- CAS
2124248-66-2- Standard SMILES
CC(C)(C)OC(=O)N1CCC(NC(=O)c2cc(Cl)c(N)c3c2OCC3)CC1- InChIKey
IZCYKFAYMDYMPW-UHFFFAOYSA-N- Molecular formula
- C19H26ClN3O4
- Average molar mass
- 395.9 g/mol
- Monoisotopic mass
- 395.161184
Names & identifiers
- Preferred name
- Lwy5KS8CM2
- IUPAC
- tert-butyl 4-[(4-amino-5-chloro-2,3-dihydro-1-benzofuran-7-carbonyl)amino]piperidine-1-carboxylate
Names & synonyms
LWY5KS8CM2SCHEMBL240012981,1-Dimethylethyl 4-[[(4-amino-5-chloro-2,3-dihydro-7-benzofuranyl)carbonyl]amino]-1-piperidinecarboxylate1-Piperidinecarboxylic acid, 4-[[(4-amino-5-chloro-2,3-dihydro-7-benzofuranyl)carbonyl]amino]-, 1,1-dimethylethyl ester2124248-66-2Tert-butyl 4-[(4-amino-5-chloro-2,3-dihydro-1-benzofuran-7-carbonyl)amino]piperidine-1-carboxylate
Database identifiers
- CAS
2124248-66-2- PubChem CID
- 166830225
- UNII
- LWY5KS8CM2
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 93.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 560
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Compound notes
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