Acetamide, N-(4-((4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)phenyl)amino)-5-oxo-1,3,6-cycloheptatrien-1-yl)-, dihydrochloride
Basic information
- CAS
38767-91-8- Standard SMILES
CC(=O)Nc1ccc(Nc2ccc(OCC(O)CNC(C)C)cc2)c(=O)cc1.Cl.Cl- InChIKey
MSGHIZOUECXWIV-UHFFFAOYSA-N- Molecular formula
- C21H29Cl2N3O4
- Average molar mass
- 458.4 g/mol
- Monoisotopic mass
- 457.1535118
Names & identifiers
- Preferred name
- Acetamide, N-(4-((4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)phenyl)amino)-5-oxo-1,3,6-cycloheptatrien-1-yl)-, dihydrochloride
- IUPAC
- N-[4-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]anilino]-5-oxocyclohepta-1,3,6-trien-1-yl]acetamide;dihydrochloride
- English name
- N-[4-[[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]amino]-5-oxo-1- cyclohepta-1,3,6-trienyl]acetamide dihydrochloride
- Molecular formula
- C21H29Cl2N3O4
- Molecular weight
- 0
Names & synonyms
38767-91-8Acetamide, N-(4-((4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)phenyl)amino)-5-oxo-1,3,6-cycloheptatrien-1-yl)-, dihydrochlorideRefChem:315288DTXSID10959575DB-266049N-[4-[[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl ]amino]-5-oxo-1-cyclohepta-1,3,6-trienyl ]acetamide dihydrochlorideN-{4-Hydroxy-5-[(4-{2-hydroxy-3-[(propan-2-yl)amino]propoxy}phenyl)imino]cyclohepta-1,3,6-trien-1-yl}ethanimidic acid--hydrogen chloride (1/2)N-[4-[[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]amino]-5-oxo-1- cyclohepta-1,3,6-trienyl]acetamide dihydrochloride
Database identifiers
- CAS
38767-91-8- PubChem CID
- 217385
- DTXSID
DTXSID10959575
Properties
Computed structural properties
- Topological polar surface area
- 99.7 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 632
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Compound notes
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