4'-[[2-(2-pyridylmethyl)-5,6-dihydro-4H-thiazolo[5,4-d][1]benzazepin-6-yl)carbonyl]-2-phenylbenzanilide
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Basic information
- Standard SMILES
O=C(Nc1ccc(C(=O)N2CCc3sc(Cc4ccccn4)nc3-c3ccccc32)cc1)c1ccccc1-c1ccccc1- InChIKey
PJXKXIGVCNKOSY-UHFFFAOYSA-N- Molecular formula
- C37H28N4O2S
- Average molar mass
- 592.7 g/mol
- Monoisotopic mass
- 592.19329732
Names & identifiers
- Preferred name
- 4'-[[2-(2-pyridylmethyl)-5,6-dihydro-4H-thiazolo[5,4-d][1]benzazepin-6-yl)carbonyl]-2-phenylbenzanilide
- IUPAC
- 2-phenyl-N-[4-[2-(pyridin-2-ylmethyl)-4,5-dihydro-[1,3]thiazolo[5,4-d][1]benzazepine-6-carbonyl]phenyl]benzamide
Names & synonyms
SCHEMBL6984644PJXKXIGVCNKOSY-UHFFFAOYSA-N4'-[[2-(2-pyridylmethyl)-5,6-dihydro-4H-thiazolo[5,4-d][1]benzazepin-6-yl)carbonyl]-2-phenylbenzanilide
Database identifiers
- PubChem CID
- 10698697
- Nikkaji
- J1.225.572A
Properties
Computed structural propertiesFilling in
- XLogP
- 7.1
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 965
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Related reactions
2 records
Compound notes
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