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Chemical ID: 5914438
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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