9-(3-(3,5-Dinitrobenzoylamino)-3-methylpropyl)-1,2,3,4-tetrahydrocarbazole
Basic information
- Standard SMILES
CC(CCn1c2c(c3ccccc31)CCCC2)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1- InChIKey
WVKLWVIKXMBKEJ-UHFFFAOYSA-N- Molecular formula
- C23H24N4O5
- Average molar mass
- 436.5 g/mol
- Monoisotopic mass
- 436.17466988
Overview
3,5-DINITRO-N-(1-METHYL-3-(1,2,3,4-TETRAHYDRO-9-CARBAZOLYL)PROPYL)BENZAMIDE is a member of carbazoles.
Names & identifiers
- Preferred name
- 9-(3-(3,5-Dinitrobenzoylamino)-3-methylpropyl)-1,2,3,4-tetrahydrocarbazole
- IUPAC
- 3,5-dinitro-N-[4-(1,2,3,4-tetrahydrocarbazol-9-yl)butan-2-yl]benzamide
Names & synonyms
9-(3-(3,5-Dinitrobenzoylamino)-3-methylpropyl)-1,2,3,4-tetrahydrocarbazole3,5-DINITRO-N-(1-METHYL-3-(1,2,3,4-TETRAHYDRO-9-CARBAZOLYL)PROPYL)BENZAMIDEOprea1_482021Oprea1_793693CHEBI:192402WVKLWVIKXMBKEJ-UHFFFAOYSA-NDTXSID7013620903,5-dinitro-N-[4-(1,2,3,4-tetrahydrocarbazol-9-yl)butan-2-yl]benzamideAKOS003578429N-[1-Methyl-3-(1,2,3,4-tetrahydro-9H-carbazol-9-yl)propyl]-3,5-dinitrobenzamide #
Database identifiers
- PubChem CID
- 634859
- DTXSID
DTXSID701362090- ChEBI
CHEBI:192402- Nikkaji
- J182.449J
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 685
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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