Basic information
- CAS
177034-98-9- Standard SMILES
COc1cc2c(cc1OC)C(c1ccc(NC(C)=O)cc1)=NN=C(C)C2- InChIKey
UFPPOUKMVVEJAG-UHFFFAOYSA-N- Molecular formula
- C20H21N3O3
- Average molar mass
- 351.4 g/mol
- Monoisotopic mass
- 351.15829154
Overview
structure given in first source
Names & identifiers
- Preferred name
- Egis 7649
- IUPAC
- N-[4-(7,8-dimethoxy-4-methyl-5H-2,3-benzodiazepin-1-yl)phenyl]acetamide
- English name
- 1-(4-Acetylaminophenyl)-4-methyl-7,8-methylenedioxy-5H-2,3-benzodiazep ine
- Molecular weight
- 0
Names & synonyms
Egis 7649Egis-7649177034-98-9N-[4-(7,8-dimethoxy-4-methyl-5H-2,3-benzodiazepin-1-yl)phenyl]acetamideN-(4-(7,8-Dimethoxy-4-methyl-5H-2,3-benzodiazepin-1-yl)phenyl)acetamideRefChem:136353N-[4-(8-methyl-9H-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-5-yl)phenyl]acetamideSCHEMBL7994104DTXSID40938893Acetamide, N-(4-(7,8-dimethoxy-4-methyl-5H-2,3-benzodiazepin-1-yl)phenyl)-N-[4-(7,8-Dimethoxy-4-methyl-5H-2,3-benzodiazepin-1-yl)phenyl]ethanimidic acid1-(4-Acetylaminophenyl)-4-methyl-7,8-methylenedioxy-5H-2,3-benzodiazep ine
Database identifiers
- CAS
177034-98-9- PubChem CID
- 128024
- DTXSID
DTXSID40938893- Nikkaji
- J734.203I
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 72.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 567
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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