N-[1-(4-Methoxyphenyl)-3-{[3-(morpholin-4-yl)propyl]amino}-3-oxoprop-1-en-2-yl]-4-nitrobenzamide
Basic information
- CAS
6240-37-5- Standard SMILES
COc1ccc(C=C(NC(=O)c2ccc([N+](=O)[O-])cc2)C(=O)NCCCN2CCOCC2)cc1- InChIKey
YDEUUGUBAVCAJO-UHFFFAOYSA-N- Molecular formula
- C24H28N4O6
- Average molar mass
- 468.5 g/mol
- Monoisotopic mass
- 468.20088463
Names & identifiers
- Preferred name
- N-[1-(4-Methoxyphenyl)-3-{[3-(morpholin-4-yl)propyl]amino}-3-oxoprop-1-en-2-yl]-4-nitrobenzamide
- IUPAC
- N-[1-(4-methoxyphenyl)-3-(3-morpholin-4-ylpropylamino)-3-oxoprop-1-en-2-yl]-4-nitrobenzamide
Names & synonyms
CBMicro_003326DTXSID70389718N-[1-(4-Methoxyphenyl)-3-{[3-(morpholin-4-yl)propyl]amino}-3-oxoprop-1-en-2-yl]-4-nitrobenzamide
Database identifiers
- CAS
6240-37-5- PubChem CID
- 3139749
- DTXSID
DTXSID70389718
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 703
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