Basic information
- CAS
892152-68-0- Standard SMILES
CCOc1ccc(NC(=O)N(C2=NCCCCC2)C2CCCCC2)cc1- InChIKey
KFCMMQFAOKLWMO-UHFFFAOYSA-N- Molecular formula
- C21H31N3O2
- Average molar mass
- 357.5 g/mol
- Monoisotopic mass
- 357.24162724
Names & identifiers
- Preferred name
- N-Cyclohexyl-N'-(4-ethoxyphenyl)-N-(3,4,5,6-tetrahydro-2H-azepin-7-YL)urea
- IUPAC
- 1-cyclohexyl-3-(4-ethoxyphenyl)-1-(3,4,5,6-tetrahydro-2H-azepin-7-yl)urea
- English name
- N-Cyclohexyl-N'-(4-ethoxyphenyl)-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)urea
- Molecular weight
- 0
Names & synonyms
AKOS024405507N-CYCLOHEXYL-N'-(4-ETHOXYPHENYL)-N-(3,4,5,6-TETRAHYDRO-2H-AZEPIN-7-YL)UREA
Database identifiers
- CAS
892152-68-0- PubChem CID
- 5113317
- EC Number
- 122-567-4
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 53.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 466
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMA ALDRICH IRELAND LTD[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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