Basic information
- CAS
81225-61-8- Standard SMILES
CC(C)(C)NC(=O)N1c2ccccc2Sc2ccccc21- InChIKey
VEHORJYPKNVWKA-UHFFFAOYSA-N- Molecular formula
- C17H18N2OS
- Average molar mass
- 298.4 g/mol
- Monoisotopic mass
- 298.11398438
Names & identifiers
- Preferred name
- N-Tert-butylphenothiazine-10-carboxamide
- IUPAC
- N-tert-butylphenothiazine-10-carboxamide
Names & synonyms
N-tert-butyl-10H-phenothiazine-10-carboxamide81225-61-8N-tert-butylphenothiazine-10-carboxamide985ZCD8PRYN-(1,1-Dimethylethyl)-10H-phenothiazine-10-carboxamide10H-Phenothiazine-10-carboxamide, N-(1,1-dimethylethyl)-RefChem:202215N-(tert-butyl)-10H-phenothiazine-10-carboxamideUNII-985ZCD8PRYCHEMBL592431ChemDiv3_004014Oprea1_837647
Show more names
MLS001196417SCHEMBL31060959BRD4081DTXSID201320895HMS1484G10HMS2867C08BRD-4081BDBM50308431
Database identifiers
- CAS
81225-61-8- PubChem CID
- 704261
- DTXSID
DTXSID201320895- ChEMBL
CHEMBL592431- UNII
- 985ZCD8PRY
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 371
Experimental & physicochemical properties
Solubility23 [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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