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Chemical ID: 6024855
Chemical ID:
6024855
Name [?]:
2-[[2-(4-fluorophenyl)acetyl]-propyl-amino]-N-[(4-fluorophenyl)methyl]-N-[(3-methyl-2-thienyl)methyl]acetamide
SMILES [?]:
CCCN(CC(=O)N(Cc1ccc(cc1)F)Cc2c(ccs2)C)C(=O)Cc3ccc(cc3)F
InChi [?]:
InChI=1/C26H28F2N2O2S/c1-3-13-29(25(31)15-20-4-8-22(27)9-5-20)18-26(32)30(17-24-19(2)12-14-33-24)16-21-6-10-23(28)11-7-21/h4-12,14H,3,13,15-18H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,23,2,28,32,11,15,29,31,12,14,20,3,21,26,9,17,5,19,27,10,30,13,18,24,6,33,16,4,8,25,7,22/E:(4,5)(6,7)(8,9)(10,11)/rA:33nCCCNCCONCCCCCCCFCCCCCSCCOCCCCCCCF/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;d11;s12;d13;d10s14;s13;s8;s17;d18;s19;d20;s18s21;s19;s4;d24;s24;s26;s27;d28;s29;d30;d27s31;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H28F2N2O2S |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.6818 |
Area: | 691.848 |
Solvation: | -5.61445 |
Coulombic: | -42.3179 |
Bond Count [?]
All: | 35 |
Single: | 25 |
Double: | 10 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 470.576 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.42 |
LogP (Chemaxon): | 5.0 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
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