| CAS Number | 477890-27-0 |
| Catalog Number | AG00IOE2(AGN-PC-0WASGK) |
| Chemical Name | 4-nitro-N-[4-(4-pentylcyclohexyl)phenyl]benzenecarboxamide |
| IUPAC Name | 4-nitro-N-[4-(4-pentylcyclohexyl)phenyl]benzamide |
| InChI | InChI=1S/C24H30N2O3/c1-2-3-4-5-18-6-8-19(9-7-18)20-10-14-22(15-11-20)25-24(27)21-12-16-23(17-13-21)26(28)29/h10-19H,2-9H2,1H3,(H,25,27) |
| InChI Key | PDLCNRPLXIPNJJ-UHFFFAOYSA-N |
| MDL Number | MFCD02571696 |
| Molecular Formula | C24H30N2O3 |
| Molecular Weight | 394.5066 |
| SMILES | O=[N+]([O-])C3(=CC=C(C(=O)NC2(=CC=C(C1(CCC(CCCCC)CC1))C=C2))C=C3) |
| Synonyms | 477890-27-0,
4-nitro-N-[4-(4-pentylcyclohexyl)phenyl]benzenecarboxamide,
4-nitro-N-[4-(4-pentylcyclohexyl)phenyl]benzamide,
Bionet1_004698,
AC1MX60J,
HMS582G20,
KS-00001UVD,
ZINC4092463,
AKOS005086483,
2R-0839,
ZINC04092463,
CID3810502,
|
| Complexity | 509 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 394.226g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 394.515g/mol |
| Monoisotopic Mass | 394.226g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 74.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 7.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number