Chemical ID: 6024429

Cc1ccsc1CN(Cc2ccc(cc2)F)C(=O)CN(C(C)C)C(=O)Cc3ccc(cc3)F
Chemical ID:
6024429
Name [?]:
2-[[2-(4-fluorophenyl)acetyl]-isopropyl-amino]-N-[(4-fluorophenyl)methyl]-N-[(3-methyl-2-thienyl)methyl]acetamide
SMILES [?]:
Cc1ccsc1CN(Cc2ccc(cc2)F)C(=O)CN(C(C)C)C(=O)Cc3ccc(cc3)F
InChi [?]:
InChI=1/C26H28F2N2O2S/c1-18(2)30(25(31)14-20-4-8-22(27)9-5-20)17-26(32)29(16-24-19(3)12-13-33-24)15-21-6-10-23(28)11-7-21/h4-13,18H,14-17H2,1-3H3
InChi Info:
AuxInfo=1/0/N:22,23,1,28,32,11,15,29,31,12,14,3,4,26,9,7,19,21,2,27,10,30,13,6,24,17,33,16,8,20,25,18,5/E:(1,2)(4,5)(6,7)(8,9)(10,11)/rA:33nCCCCSCCNCCCCCCCFCOCNCCCCOCCCCCCCF/rB:s1;s2;d3;s4;d2s5;s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s13;s8;d17;s17;s19;s20;s21;s21;s20;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:10.884
Area:668.102
Solvation:-5.81854
Coulombic:-41.7971
Bond Count [?]
All:35
Single:25
Double:10
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:470.576
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.53
LogP (Chemaxon):4.95

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