Basic information
- CAS
791792-65-9- Standard SMILES
O=C(NC1CCCCC1)c1ccccc1NC(=S)NC(=O)C1CCC1- InChIKey
UYPLHSVZTVWIFQ-UHFFFAOYSA-N- Molecular formula
- C19H25N3O2S
- Average molar mass
- 359.5 g/mol
- Monoisotopic mass
- 359.16674822
Names & identifiers
- Preferred name
- 2-({[(cyclobutylcarbonyl)amino]carbothioyl}amino)-N-cyclohexylbenzamide
- IUPAC
- 2-(cyclobutanecarbonylcarbamothioylamino)-N-cyclohexylbenzamide
- English name
- 2-({[(cyclobutylcarbonyl)amino]carbothioyl}amino)-N-cyclohexylbenzamide
- Molecular formula
- C19H25N3O2S
- Molecular weight
- 359.49
Names & synonyms
2-({[(cyclobutylcarbonyl)amino]carbothioyl}amino)-N-cyclohexylbenzamideMLS000701538CHEMBL15416892-(cyclobutanecarbonylcarbamothioylamino)-N-cyclohexylbenzamideHMS2581F06AKOS003438302SMR000228831AN-329/42612958Benzamide, 2-[[[(cyclobutylcarbonyl)amino]thioxomethyl]amino]-N-cyclohexyl-
Database identifiers
- CAS
791792-65-9- PubChem CID
- 1792091
- ChEMBL
CHEMBL1541689
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 501
Physicochemical properties
- Density
- 1.24 · 1.24±0.1 g/cm3(Predicted)
- pka
- 10.27 · 10.27±0.70(Predicted)
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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