6-[4-(6,6-Dimethyl-5,6,7,8-tetrahydroquinazolin-4-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl][1,3]thiazolo[5,4-b]pyridin-2-amine
Basic information
- Standard SMILES
CC1(C)CCc2ncnc(N3CCOc4ccc(-c5cnc6sc(N)nc6c5)cc4C3)c2C1- InChIKey
MAGMEQZFDDGKIB-UHFFFAOYSA-N- Molecular formula
- C25H26N6OS
- Average molar mass
- 458.6 g/mol
- Monoisotopic mass
- 458.18888065
Names & identifiers
- Preferred name
- 6-[4-(6,6-Dimethyl-5,6,7,8-tetrahydroquinazolin-4-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl][1,3]thiazolo[5,4-b]pyridin-2-amine
- IUPAC
- 6-[4-(6,6-dimethyl-7,8-dihydro-5H-quinazolin-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-[1,3]thiazolo[5,4-b]pyridin-2-amine
Names & synonyms
SCHEMBL856936MAGMEQZFDDGKIB-UHFFFAOYSA-N6-[4-(6,6-dimethyl-5,6,7,8-tetrahydroquinazolin-4-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl][1,3]thiazolo[5,4-b]pyridin-2-amine
Database identifiers
- PubChem CID
- 59586232
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 696
Related reactions
1 records
Compound notes
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