[2-(Cyclohexylmethylamino)-2-oxoethyl] 2-[[4-(dimethylamino)phenyl]diazenyl]benzoate
Basic information
- CAS
1164498-06-9- Standard SMILES
CN(C)c1ccc(N=Nc2ccccc2C(=O)OCC(=O)NCC2CCCCC2)cc1- InChIKey
FIWOJDHHIMLTPK-UHFFFAOYSA-N- Molecular formula
- C24H30N4O3
- Average molar mass
- 422.5 g/mol
- Monoisotopic mass
- 422.23179083
Names & identifiers
- Preferred name
- [2-(Cyclohexylmethylamino)-2-oxoethyl] 2-[[4-(dimethylamino)phenyl]diazenyl]benzoate
- IUPAC
- [2-(cyclohexylmethylamino)-2-oxoethyl] 2-[[4-(dimethylamino)phenyl]diazenyl]benzoate
Names & synonyms
MLS000375197SMR000254450CHEMBL1438956BDBM56598cid_3603231DTXSID501038235HMS2582H03AKOS030643141[2-(cyclohexylmethylamino)-2-oxoethyl] 2-[[4-(dimethylamino)phenyl]diazenyl]benzoate1164498-06-9SR-01000714733SR-01000714733-2
Show more names
Z189879132-[4-(dimethylamino)phenyl]azobenzoic acid [2-(cyclohexylmethylamino)-2-keto-ethyl] ester2-[4-(dimethylamino)phenyl]azobenzoic acid [2-(cyclohexylmethylamino)-2-oxoethyl] ester[2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl] 2-[[4-(dimethylamino)phenyl]diazenyl]benzoateBenzoic acid, 2-[(1E)-2-[4-(dimethylamino)phenyl]diazenyl]-, 2-[(cyclohexylmethyl)amino]-2-oxoethyl ester
Database identifiers
- CAS
1164498-06-9- PubChem CID
- 3603231
- DTXSID
DTXSID501038235- ChEMBL
CHEMBL1438956
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 83.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 596
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…