ChemDB: Chemical Search
Download
Chemical ID: 5908200
Chemical ID:
5908200
Name [?]:
N-[(4-fluorophenyl)methyl]-N-[(4-methoxyphenyl)carbamoylmethylcarbamoylmethyl]benzamide
SMILES [?]:
COc1ccc(cc1)NC(=O)CNC(=O)CN(Cc2ccc(cc2)F)C(=O)c3ccccc3
InChi [?]:
InChI=1/C25H24FN3O4/c1-33-22-13-11-21(12-14-22)28-23(30)15-27-24(31)17-29(16-18-7-9-20(26)10-8-18)25(32)19-5-3-2-4-6-19/h2-14H,15-17H2,1H3,(H,27,31)(H,28,30)
InChi Info:
AuxInfo=1/1/N:1,31,30,32,29,33,20,24,21,23,5,7,4,8,12,18,16,19,28,22,6,3,10,14,26,25,13,9,17,11,15,27,2/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:33nCOCCCCCCNCOCNCOCNCCCCCCCFCOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;s13;d14;s14;s16;s17;s18;s19;d20;s21;d22;d19s23;s22;s17;d26;s26;s28;d29;s30;d31;d28s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H24FN3O4 |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.7584 |
Area: | 690.276 |
Solvation: | -6.49845 |
Coulombic: | -71.1339 |
Bond Count [?]
All: | 35 |
Single: | 23 |
Double: | 12 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 449.474 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 3.26 |
LogP (Chemaxon): | 2.86 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|