Chemical ID: 6024334

Cc1ccsc1CN(Cc2ccc(cc2)F)C(=O)CN(CC(C)C)C(=O)Cc3ccccc3
Chemical ID:
6024334
Name [?]:
N-[(4-fluorophenyl)methyl]-2-[isobutyl-(2-phenylacetyl)-amino]-N-[(3-methyl-2-thienyl)methyl]acetamide
SMILES [?]:
Cc1ccsc1CN(Cc2ccc(cc2)F)C(=O)CN(CC(C)C)C(=O)Cc3ccccc3
InChi [?]:
InChI=1/C27H31FN2O2S/c1-20(2)16-29(26(31)15-22-7-5-4-6-8-22)19-27(32)30(18-25-21(3)13-14-33-25)17-23-9-11-24(28)12-10-23/h4-14,20H,15-19H2,1-3H3
InChi Info:
AuxInfo=1/0/N:23,24,1,31,30,32,29,33,11,15,12,14,3,4,27,21,9,7,19,22,2,28,10,13,6,25,17,16,20,8,26,18,5/E:(1,2)(5,6)(7,8)(9,10)(11,12)/rA:33nCCCCSCCNCCCCCCCFCOCNCCCCCOCCCCCCC/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;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H31FN2O2S
All Atoms:33
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:12.4258
Area:697.786
Solvation:-5.01888
Coulombic:-39.3338
Bond Count [?]
All:35
Single:25
Double:10
Rotors:12
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:466.612
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.56
LogP (Chemaxon):5.26

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Experimental Annotations

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Descriptor Annotations

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