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Basic information
- Standard SMILES
COc1nc(Nc2cc(C)cc(-c3cnc(N4CCCNC(=O)C4)s3)c2)ncc1Cl- InChIKey
HJBQZXSERSMDOG-UHFFFAOYSA-N- Molecular formula
- C20H21ClN6O2S
- Average molar mass
- 444.9 g/mol
- Monoisotopic mass
- 444.1135228
Names & identifiers
- Preferred name
- 4-(5-{3-[(5-Chloro-4-methoxypyrimidin-2-yl)amino]-5-methylphenyl}-1,3-thiazol-2-yl)-1,4-diazepan-2-one
- IUPAC
- 4-[5-[3-[(5-chloro-4-methoxypyrimidin-2-yl)amino]-5-methylphenyl]-1,3-thiazol-2-yl]-1,4-diazepan-2-one
Names & synonyms
SCHEMBL14121948HJBQZXSERSMDOG-UHFFFAOYSA-N4-(5-{3-[(5-chloro-4-methoxypyrimidin-2-yl)amino]-5-methylphenyl}-1,3-thiazol-2-yl)-1,4-diazepan-2-one
Database identifiers
- PubChem CID
- 71075331
Properties
Computed structural propertiesFilling in
- XLogP
- 4
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 589
Related reactions
1 records
Compound notes
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