(Azepan-1-yl){3-[2-(dimethylamino)-1,3-thiazol-4-yl]-4-methoxyphenyl}methanone
Basic information
- CAS
1795414-77-5- Standard SMILES
COc1ccc(C(=O)N2CCCCCC2)cc1-c1csc(N(C)C)n1- InChIKey
LXIPLWNHDJFOJQ-UHFFFAOYSA-N- Molecular formula
- C19H25N3O2S
- Average molar mass
- 359.5 g/mol
- Monoisotopic mass
- 359.16674822
Names & identifiers
- Preferred name
- (Azepan-1-yl){3-[2-(dimethylamino)-1,3-thiazol-4-yl]-4-methoxyphenyl}methanone
- IUPAC
- azepan-1-yl-[3-[2-(dimethylamino)-1,3-thiazol-4-yl]-4-methoxyphenyl]methanone
Names & synonyms
DTXSID501122466(Azepan-1-yl){3-[2-(dimethylamino)-1,3-thiazol-4-yl]-4-methoxyphenyl}methanoneMethanone, [3-[2-(dimethylamino)-4-thiazolyl]-4-methoxyphenyl](hexahydro-1H-azepin-1-yl)-1795414-77-5
Database identifiers
- CAS
1795414-77-5- PubChem CID
- 91958331
- DTXSID
DTXSID501122466
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 73.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 440
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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