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Basic information
- Standard SMILES
Cn1nnnc1-c1cccc(NC(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C(=O)N2CCC[C@@H](Cc3ccc(F)cc3)C2)c1- InChIKey
OHKGNVPFEGMTCX-ZDJNHPEVSA-N- Molecular formula
- C32H41FN8O4
- Average molar mass
- 620.7 g/mol
- Monoisotopic mass
- 620.32347998
Names & identifiers
- Preferred name
- (3R,4R)-3-[(S)-3-(4-fluoro-benzyl)-piperidine-1-carbonyl]-4-{3-[3-(1-methyl-1H-tetrazol-5-yl)-phenyl]-ureido}-piperidine-1-carboxylic acid t-butyl ester
- IUPAC
- tert-butyl (3R,4R)-3-[(3S)-3-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-4-[[3-(1-methyltetrazol-5-yl)phenyl]carbamoylamino]piperidine-1-carboxylate
Names & synonyms
SCHEMBL6344950OHKGNVPFEGMTCX-ZDJNHPEVSA-N(3R,4R)-3-[(S)-3-(4-fluoro-benzyl)-piperidine-1-carbonyl]-4-{3-[3-(1-methyl-1H-tetrazol-5-yl)-phenyl]-ureido}-piperidine-1-carboxylic acid t-butyl ester
Database identifiers
- PubChem CID
- 69747686
Properties
Computed structural propertiesFilling in
- XLogP
- 4.1
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 1,020
Related reactions
2 records
Compound notes
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