Basic information
- Standard SMILES
COCCN(C)c1ccc(OC)c2nc(NC(=O)c3ccc(CCl)cc3)sc12- InChIKey
UDCLRURACXTTJX-UHFFFAOYSA-N- Molecular formula
- C20H22ClN3O3S
- Average molar mass
- 419.9 g/mol
Names & identifiers
- Preferred name
- 4-chloromethyl-N-{4-methoxy-7-[(2-methoxy-ethyl)-methyl-amino]-benzothiazol-2-yl}-benzamide
- IUPAC
- 4-(chloromethyl)-N-[4-methoxy-7-[2-methoxyethyl(methyl)amino]-1,3-benzothiazol-2-yl]benzamide
Names & synonyms
SCHEMBL6872814UDCLRURACXTTJX-UHFFFAOYSA-N4-chloromethyl-N-{4-methoxy-7-[(2-methoxy-ethyl)-methyl-amino]-benzothiazol-2-yl}-benzamide
Database identifiers
- PubChem CID
- 10216487
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 91.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 507
Related reactions
3 records
Compound notes
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