Basic information
- Standard SMILES
CN(C)c1ccc(NC(=O)N(C2CCCCCC2)C2CCCCc3ccccc32)cc1.Cl- InChIKey
ISWRJDGYPMVMFY-UHFFFAOYSA-N- Molecular formula
- C27H38ClN3O
- Average molar mass
- 456.1 g/mol
- Monoisotopic mass
- 455.2703405
Names & identifiers
- Preferred name
- 1-Cycloheptyl-1-(6,7,8,9-tetrahydro-5H-benzocyclohepten-5-yl)-3-[p-(N,N-dimethylamino)phenyl]urea monohydrochloride
- IUPAC
- 1-cycloheptyl-3-[4-(dimethylamino)phenyl]-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)urea;hydrochloride
Names & synonyms
SCHEMBL9220952ISWRJDGYPMVMFY-UHFFFAOYSA-N1-Cycloheptyl-1- (6,7,8,9-tetrahydro-5H-benzocyclohepten-5-yl)-3-[p-(N,N-dimethylamino)phenyl]urea monohydrochloride1-Cycloheptyl-1-(6,7,8,9-tetrahydro-5H-benzocyclohepten-5-yl)-3-[p-(N,N-dimethylamino)phenyl]urea monohydrochloride
Database identifiers
- PubChem CID
- 19785673
Properties
Computed structural properties
- Topological polar surface area
- 35.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 549
Related reactions
2 records
Compound notes
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