ChemDB: Chemical Search
Download
Chemical ID: 5909091
Chemical ID:
5909091
Name [?]:
2-fluoro-N-[(2-furylmethyl-phenethyl-carbamoyl)methyl]-N-sec-butyl-benzamide
SMILES [?]:
CCC(C)N(CC(=O)N(CCc1ccccc1)Cc2ccco2)C(=O)c3ccccc3F
InChi [?]:
InChI=1/C26H29FN2O3/c1-3-20(2)29(26(31)23-13-7-8-14-24(23)27)19-25(30)28(18-22-12-9-17-32-22)16-15-21-10-5-4-6-11-21/h4-14,17,20H,3,15-16,18-19H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,4,2,15,14,16,28,29,21,13,17,20,27,30,11,10,22,18,6,3,12,19,26,31,7,24,32,9,5,8,25,23/E:(5,6)(10,11)/rA:32cCCCCNCCONCCCCCCCCCCCCCOCOCCCCCCF/rB:s1;s2;s3;s3;s5;s6;d7;s7;s9;s10;s11;s12;d13;s14;d15;d12s16;s9;s18;d19;s20;d21;s19s22;s5;d24;s24;s26;d27;s28;d29;d26s30;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H29FN2O3 |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.26 |
Area: | 652.887 |
Solvation: | -5.06214 |
Coulombic: | -46.8599 |
Bond Count [?]
All: | 34 |
Single: | 24 |
Double: | 10 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 436.519 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.56 |
LogP (Chemaxon): | 4.48 |
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 |
---|