Basic information
- CAS
24001-25-0- Standard SMILES
Cc1nsc(NC(=O)c2ccccc2)c1C(=O)NC1CCCCC1- InChIKey
OUKATDNAFVQKSW-UHFFFAOYSA-N- Molecular formula
- C18H21N3O2S
- Average molar mass
- 343.4 g/mol
- Monoisotopic mass
- 343.13544809
Names & identifiers
- Preferred name
- 4-Isothiazolecarboxamide, 5-benzamido-N-cyclohexyl-3-methyl-
- IUPAC
- 5-benzamido-N-cyclohexyl-3-methyl-1,2-thiazole-4-carboxamide
Names & synonyms
BRN 11642044-ISOTHIAZOLECARBOXAMIDE, 5-BENZAMIDO-N-CYCLOHEXYL-3-METHYL-24001-25-05-Benzamido-N-cyclohexyl-3-methyl-4-isothiazolecarboxamideDTXSID00178738RefChem:293672DTXCID601012295-benzamido-N-cyclohexyl-3-methyl-1,2-thiazole-4-carboxamide
Database identifiers
- CAS
24001-25-0- PubChem CID
- 32182
- DTXSID
DTXSID00178738
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 99.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 448
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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