Chemical ID: 6024349

Cc1ccsc1CN(Cc2ccc(cc2)F)C(=O)CN(CC(C)C)C(=O)Cc3ccc(cc3)OC
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

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Descriptor Annotations

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