4-Methyl-N-[2-(3-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]benzamide
Basic information
- CAS
6131-47-1- Standard SMILES
Cc1ccc(C(=O)NCCn2cc(SCC(=O)N3CCOCC3)c3ccccc32)cc1- InChIKey
VGGZDCXGAKWTFG-UHFFFAOYSA-N- Molecular formula
- C24H27N3O3S
- Average molar mass
- 437.6 g/mol
- Monoisotopic mass
- 437.17731291
Names & identifiers
- Preferred name
- 4-Methyl-N-[2-(3-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]benzamide
- IUPAC
- 4-methyl-N-[2-[3-(2-morpholin-4-yl-2-oxoethyl)sulfanylindol-1-yl]ethyl]benzamide
Names & synonyms
6131-47-1MLS000529794Oprea1_102671CHEMBL1326742DTXSID70410556HMS2246N06WAY-277917SMR000126820AB00490515-034-Methyl-N-[2-(3-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]benzamide
Database identifiers
- CAS
6131-47-1- PubChem CID
- 5215151
- DTXSID
DTXSID70410556- ChEMBL
CHEMBL1326742
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 88.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 605
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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