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Basic information
- Standard SMILES
CCCCOCCOc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CS(=O)c4ccccn4)cc2)CCN3CCC)cc1- InChIKey
OENYOXNINDFIFN-UHFFFAOYSA-N- Molecular formula
- C38H43N3O4S
- Average molar mass
- 637.8 g/mol
- Monoisotopic mass
- 637.29742803
Names & identifiers
- Preferred name
- 7-[4-(2-butoxyethoxy)phenyl]-1-propyl-N-[4-(2-pyridylsulfinylmethyl)phenyl]-2,3-dihydro-1-benzazepine-4-carboxamide
- IUPAC
- 7-[4-(2-butoxyethoxy)phenyl]-1-propyl-N-[4-(pyridin-2-ylsulfinylmethyl)phenyl]-2,3-dihydro-1-benzazepine-4-carboxamide
Names & synonyms
SCHEMBL5656534OENYOXNINDFIFN-UHFFFAOYSA-N1H-1-Benzazepine-4-carboxamide, 7-[4-(2-butoxyethoxy)phenyl]-2,3-dihydro-1-propyl-N-[4-[(2-pyridinylsulfinyl)methyl]phenyl]-7-[4-(2-butoxyethoxy)phenyl]-1-propyl-N-[4-(2-pyridylsulfinylmethyl)phenyl]-2,3-dihydro-1-benzazepine-4-carboxamide7-[4-(2-butoxyethoxy)phenyl]-1-propyl-N-[4-[(2-pyridinylsulfinyl)methyl]phenyl]-2,3-dihydro-1-benzazepine-4-carboxamide
Database identifiers
- PubChem CID
- 3013545
Properties
Computed structural propertiesFilling in
- XLogP
- 7
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 15
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 962
Related reactions
3 records
Compound notes
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