Basic information
- Standard SMILES
COc1ccc2nc(Nc3cccc(CNc4ncnc5c(C(N)=O)cccc45)c3)sc2c1- InChIKey
DZJJTOUVFUJWPC-UHFFFAOYSA-N- Molecular formula
- C24H20N6O2S
- Average molar mass
- 456.5 g/mol
- Monoisotopic mass
- 456.13684508
Names & identifiers
- Preferred name
- 4-[3-(6-Methoxy-benzothiazol-2-ylamino)-benzylamino]-quinazoline-8-carboxylic acid amide
- IUPAC
- 4-[[3-[(6-methoxy-1,3-benzothiazol-2-yl)amino]phenyl]methylamino]quinazoline-8-carboxamide
Names & synonyms
SCHEMBL666122CHEMBL3639794DZJJTOUVFUJWPC-UHFFFAOYSA-NBDBM116869US8637532, 5954-[3-(6-Methoxy-benzothiazol-2-ylamino)-benzylamino]-quinazoline-8-carboxylic acid amide
Database identifiers
- PubChem CID
- 77014398
- ChEMBL
CHEMBL3639794
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 671
Related reactions
2 records
Compound notes
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