Basic information
- CAS
32868-91-0- Standard SMILES
CCN(CC(C)Cl)c1ccc(Sc2cc(C(N)=O)c([N+](=O)[O-])cc2[N+](=O)[O-])cc1- InChIKey
MXVYOYZHUFYOHM-UHFFFAOYSA-N- Molecular formula
- C18H19ClN4O5S
- Average molar mass
- 438.9 g/mol
- Monoisotopic mass
- 438.0764686
Names & identifiers
- Preferred name
- Benzamide, 5-((p-((2-chloropropyl)ethylamino)phenyl)thio)-2,4-dinitro-
- IUPAC
- 5-[4-[2-chloropropyl(ethyl)amino]phenyl]sulfanyl-2,4-dinitrobenzamide
Names & synonyms
32868-91-05-((p-((2-Chloropropyl)ethylamino)phenyl)thio)-2,4-dinitrobenzamideBENZAMIDE, 5-((p-((2-CHLOROPROPYL)ETHYLAMINO)PHENYL)THIO)-2,4-DINITRO-RefChem:321788DTXSID709545265-({4-[(2-Chloropropyl)(ethyl)amino]phenyl}sulfanyl)-2,4-dinitrobenzene-1-carboximidic acid
Database identifiers
- CAS
32868-91-0- PubChem CID
- 36256
- DTXSID
DTXSID70954526
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 163 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 594
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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