Basic information
- CAS
443327-73-9- Standard SMILES
CC(C)CNC(=O)N1c2ccccc2Sc2ccccc21- InChIKey
HQRZNZVMYRWUSJ-UHFFFAOYSA-N- Molecular formula
- C17H18N2OS
- Average molar mass
- 298.4 g/mol
- Monoisotopic mass
- 298.11398438
Names & identifiers
- Preferred name
- N-(2-methylpropyl)phenothiazine-10-carboxamide
- IUPAC
- N-(2-methylpropyl)phenothiazine-10-carboxamide
Names & synonyms
N-(2-methylpropyl)-10H-phenothiazine-10-carboxamideN-(2-methylpropyl)phenothiazine-10-carboxamideChemDiv3_004411Oprea1_825325443327-73-9MLS000332563CHEMBL1888906DTXSID201321124HMS1485I11HMS2806K15STK065278AKOS001676288
Show more names
CCG-113836IDI1_022321SMR000435930N-isobutyl-10H-phenothiazine-10-carboxamidePhenothiazine-10-carboxylic acid isobutyl-amideSR-01000506158SR-01000506158-1BRD-K55173181-001-01-3
Database identifiers
- CAS
443327-73-9- PubChem CID
- 705752
- DTXSID
DTXSID201321124- ChEMBL
CHEMBL1888906
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 352
Experimental & physicochemical properties
Solubility7.1 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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