Basic information
- Standard SMILES
COc1ccc(C(=O)Nc2ccc3nc(Nc4ncnc5cc(OC)c(OC)cc45)sc3c2)cc1- InChIKey
VEYRULXSJCFTPP-UHFFFAOYSA-N- Molecular formula
- C25H21N5O4S
- Average molar mass
- 487.5 g/mol
- Monoisotopic mass
- 487.13142534
Names & identifiers
- Preferred name
- N-[2-(6,7-Dimethoxyquinazolin-4-ylamino)-benzothiazol-6-yl]-4-methoxybenzamide
- IUPAC
- N-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]-1,3-benzothiazol-6-yl]-4-methoxybenzamide
Names & synonyms
SCHEMBL3949424VEYRULXSJCFTPP-UHFFFAOYSA-NN-[2-(6,7-Dimethoxyquinazolin-4-ylamino)-benzothiazol-6-yl]-4-methoxybenzamide
Database identifiers
- PubChem CID
- 11612819
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 711
Related reactions
2 records
Compound notes
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