Chemical ID: 6024573

Cc1ccc(cc1)C(=O)N(CC(=O)N(Cc2ccc(cc2)F)Cc3c(ccs3)C)C4CC4
Chemical ID:
6024573
Name [?]:
N-cyclopropyl-N-[[(4-fluorophenyl)methyl-[(3-methyl-2-thienyl)methyl]carbamoyl]methyl]-4-methyl-benzamide
SMILES [?]:
Cc1ccc(cc1)C(=O)N(CC(=O)N(Cc2ccc(cc2)F)Cc3c(ccs3)C)C4CC4
InChi [?]:
InChI=1/C26H27FN2O2S/c1-18-3-7-21(8-4-18)26(31)29(23-11-12-23)17-25(30)28(16-24-19(2)13-14-32-24)15-20-5-9-22(27)10-6-20/h3-10,13-14,23H,11-12,15-17H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,29,3,7,17,21,4,6,18,20,31,32,26,27,15,23,11,2,25,16,5,19,30,24,12,8,22,14,10,13,9,28/E:(3,4)(5,6)(7,8)(9,10)(11,12)/rA:32nCCCCCCCCONCCONCCCCCCCFCCCCCSCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;s19;s14;s23;d24;s25;d26;s24s27;s25;s10;s30;s30s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H27FN2O2S
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:11.2998
Area:616.718
Solvation:-4.11814
Coulombic:-40.0315
Bond Count [?]
All:35
Single:25
Double:10
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:450.569
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.65
LogP (Chemaxon):4.8

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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