Chemical ID: 5914438

CCC(C)CN(CC(=O)N(Cc1ccccc1)Cc2ccc(s2)C)C(=O)Cc3ccc(cc3)F
Chemical ID:
5914438
Name [?]:
N-benzyl-2-[[2-(4-fluorophenyl)acetyl]-(2-methylbutyl)amino]-N-[(5-methyl-2-thienyl)methyl]acetamide
SMILES [?]:
CCC(C)CN(CC(=O)N(Cc1ccccc1)Cc2ccc(s2)C)C(=O)Cc3ccc(cc3)F
InChi [?]:
InChI=1/C28H33FN2O2S/c1-4-21(2)17-30(27(32)16-23-11-13-25(29)14-12-23)20-28(33)31(18-24-8-6-5-7-9-24)19-26-15-10-22(3)34-26/h5-15,21H,4,16-20H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,4,24,2,15,14,16,13,17,21,29,33,30,32,20,27,5,11,18,7,3,22,28,12,31,19,25,8,34,6,10,26,9,23/E:(6,7)(8,9)(11,12)(13,14)/rA:34cCCCCCNCCONCCCCCCCCCCCCSCCOCCCCCCCF/rB:s1;s2;s3;s3;s5;s6;s7;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s10;s18;d19;s20;d21;s19s22;s22;s6;d25;s25;s27;s28;d29;s30;d31;d28s32;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H33FN2O2S
All Atoms:34
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:12.863
Area:730.057
Solvation:-5.38839
Coulombic:-39.2498
Bond Count [?]
All:36
Single:26
Double:10
Rotors:13
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:480.638
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.84
LogP (Chemaxon):5.19

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Descriptor Annotations

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