[3-(2-Methanesulfonyl-ethyl)-2,3,4,5-tetrahydro-1H-benzo[d]azepin-7-yl]-[5-(2-methoxymethyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-amine
Basic information
- Standard SMILES
COCc1ccccc1-c1cccc2nc(Nc3ccc4c(c3)CCN(CCS(C)(=O)=O)CC4)nn12- InChIKey
IDSZJSILNXIQJX-UHFFFAOYSA-N- Molecular formula
- C27H31N5O3S
- Average molar mass
- 505.6 g/mol
- Monoisotopic mass
- 505.21476104
Names & identifiers
- Preferred name
- [3-(2-Methanesulfonyl-ethyl)-2,3,4,5-tetrahydro-1H-benzo[d]azepin-7-yl]-[5-(2-methoxymethyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-amine
- IUPAC
- N-[5-[2-(methoxymethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-(2-methylsulfonylethyl)-1,2,4,5-tetrahydro-3-benzazepin-7-amine
Names & synonyms
SCHEMBL2640282CHEMBL3644972BDBM99722IDSZJSILNXIQJX-UHFFFAOYSA-NUS8501936, 230[3-(2-Methanesulfonyl-ethyl)-2,3,4,5-tetrahydro-1H-benzo[d]azepin-7-yl]-[5-(2-methoxymethyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-amine
Database identifiers
- PubChem CID
- 59612426
- ChEMBL
CHEMBL3644972
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 97.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 808
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Related reactions
3 records
Compound notes
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