Basic information
- Standard SMILES
COc1ccc(-c2ccccc2)c2sc(NC(=O)c3ccc(CO)cc3)nc12- InChIKey
QWMBZRZDPAXYTF-UHFFFAOYSA-N- Molecular formula
- C22H18N2O3S
- Average molar mass
- 390.5 g/mol
Names & identifiers
- Preferred name
- 4-Hydroxymethyl-N-(4-methoxy-7-phenyl-benzothiazol-2-yl)-benzamide
- IUPAC
- 4-(hydroxymethyl)-N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)benzamide
Names & synonyms
SCHEMBL3046423QWMBZRZDPAXYTF-UHFFFAOYSA-NL0210894-Hydroxymethyl-N-(4-methoxy-7-phenyl-benzothiazol-2-yl)-benzamide
Database identifiers
- PubChem CID
- 9800565
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 99.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 520
Related reactions
4 records
Compound notes
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