Basic information
- Standard SMILES
CCCCOCCOc1ccc(-c2ccc3c(c2)C=C(C(=O)OC)CCN3Cc2cncs2)cc1- InChIKey
VAAOWXVWGGLBMX-UHFFFAOYSA-N- Molecular formula
- C28H32N2O4S
- Average molar mass
- 492.6 g/mol
Names & identifiers
- Preferred name
- Methyl 7-[4-(2-butoxyethoxy)phenyl]-1-(1,3-thiazol-5-ylmethyl)-2,3-dihydro-1-benzazepine-4-carboxylate
- IUPAC
- methyl 7-[4-(2-butoxyethoxy)phenyl]-1-(1,3-thiazol-5-ylmethyl)-2,3-dihydro-1-benzazepine-4-carboxylate
Names & synonyms
SCHEMBL6353401VAAOWXVWGGLBMX-UHFFFAOYSA-Nmethyl 7-[4-(2-butoxyethoxy)phenyl]-1-(1,3-thiazol-5-ylmethyl)-2,3-dihydro-1-benzazepine-4-carboxylate
Database identifiers
- PubChem CID
- 22329006
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 89.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 12
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 682
Related reactions
3 records
Compound notes
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