ChemDB: Chemical Search
Download
Chemical ID: 5915622
Chemical ID:
5915622
Name [?]:
N-[(benzyl-(2-thienylmethyl)carbamoyl)methyl]-4-fluoro-N-propyl-benzamide
SMILES [?]:
CCCN(CC(=O)N(Cc1ccccc1)Cc2cccs2)C(=O)c3ccc(cc3)F
InChi [?]:
InChI=1/C24H25FN2O2S/c1-2-14-26(24(29)20-10-12-21(25)13-11-20)18-23(28)27(17-22-9-6-15-30-22)16-19-7-4-3-5-8-19/h3-13,15H,2,14,16-18H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,13,12,14,19,11,15,18,25,29,26,28,3,20,9,16,5,10,24,27,17,6,22,30,4,8,7,23,21/E:(4,5)(7,8)(10,11)(12,13)/rA:30nCCCNCCONCCCCCCCCCCCCSCOCCCCCCF/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;d11;s12;d13;d10s14;s8;s16;d17;s18;d19;s17s20;s4;d22;s22;s24;d25;s26;d27;d24s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H25FN2O2S |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.1558 |
Area: | 614.182 |
Solvation: | -4.19872 |
Coulombic: | -40.9114 |
Bond Count [?]
All: | 32 |
Single: | 22 |
Double: | 10 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 424.532 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.31 |
LogP (Chemaxon): | 4.28 |
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 |
---|