ChemDB: Chemical Search
Download
Chemical ID: 6024349
Chemical ID:
6024349
Name [?]:
N-[(4-fluorophenyl)methyl]-2-[isobutyl-[2-(4-methoxyphenyl)acetyl]-amino]-N-[(3-methyl-2-thienyl)methyl]acetamide
SMILES [?]:
Cc1ccsc1CN(Cc2ccc(cc2)F)C(=O)CN(CC(C)C)C(=O)Cc3ccc(cc3)OC
InChi [?]:
InChI=1/C28H33FN2O3S/c1-20(2)16-30(27(32)15-22-7-11-25(34-4)12-8-22)19-28(33)31(18-26-21(3)13-14-35-26)17-23-5-9-24(29)10-6-23/h5-14,20H,15-19H2,1-4H3
InChi Info:
AuxInfo=1/0/N:23,24,1,35,11,15,29,33,12,14,30,32,3,4,27,21,9,7,19,22,2,28,10,13,31,6,25,17,16,20,8,26,18,34,5/E:(1,2)(5,6)(7,8)(9,10)(11,12)/rA:35nCCCCSCCNCCCCCCCFCOCNCCCCCOCCCCCCCOC/rB:s1;s2;d3;s4;d2s5;s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s13;s8;d17;s17;s19;s20;s21;s22;s22;s20;d25;s25;s27;s28;d29;s30;d31;d28s32;s31;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H33FN2O3S |
All Atoms: | 35 |
Heavy Atoms: | 35 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.0077 |
Area: | 735.802 |
Solvation: | -6.38731 |
Coulombic: | -45.534 |
Bond Count [?]
All: | 37 |
Single: | 27 |
Double: | 10 |
Rotors: | 13 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 496.638 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 4.47 |
LogP (Chemaxon): | 5.01 |
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 |
---|