| CAS Number | 408303-43-5 |
| Catalog Number | AG01FPES(AGN-PC-0RP5G3) |
| Chemical Name | GW 766994 |
| IUPAC Name | 4-[[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methylcarbamoylamino]methyl]benzamide |
| InChI | InChI=1S/C21H24Cl2N4O3/c22-18-6-3-15(9-19(18)23)12-27-7-8-30-17(13-27)11-26-21(29)25-10-14-1-4-16(5-2-14)20(24)28/h1-6,9,17H,7-8,10-13H2,(H2,24,28)(H2,25,26,29) |
| InChI Key | GPLUUMAKBFSDIE-UHFFFAOYSA-N |
| MDL Number | MFCD11142482 |
| Molecular Formula | C21H24Cl2N4O3 |
| Molecular Weight | 451.3463 |
| SMILES | ClC1=C(Cl)C=C(CN2C[C@H](CNC(NCC3=CC=C(C(N)=O)C=C3)=O)OCC2)C=C1 |
| Synonyms | 408304-11-0,
4-{3-[4-(3,4-DICHLORO-BENZYL)-MORPHOLIN-2-YLMETHYL]-UREIDOMETHYL}-BENZAMIDE,
SCHEMBL1191540,
CTK4I3845,
DTXSID70436271,
408303-43-5,
AKOS030232010,
4-{3-[4-(3,4-Dichloro-benzyl)-morpholin-2-ylmethyl]-ureidomethyl}-benzoic acid_x000D_,
CID10161126,
GW 766994,
4-[[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methylcarbamoylamino]methyl]benzamide,
|
| Complexity | 575 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 450.123g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 451.348g/mol |
| Monoisotopic Mass | 450.123g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 96.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number