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Chemical ID: 6023302
Chemical ID:
6023302
Name [?]:
N-[[(4-fluorophenyl)methyl-(2-thienylmethyl)carbamoyl]methyl]-N-isobutyl-acetamide
SMILES [?]:
CC(C)CN(CC(=O)N(Cc1ccc(cc1)F)Cc2cccs2)C(=O)C
InChi [?]:
InChI=1/C20H25FN2O2S/c1-15(2)11-22(16(3)24)14-20(25)23(13-19-5-4-10-26-19)12-17-6-8-18(21)9-7-17/h4-10,15H,11-14H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,26,21,20,12,16,13,15,22,4,10,18,6,2,24,11,14,19,7,17,5,9,25,8,23/E:(1,2)(6,7)(8,9)/rA:26nCCCCNCCONCCCCCCCFCCCCCSCOC/rB:s1;s2;s2;s4;s5;s6;d7;s7;s9;s10;s11;d12;s13;d14;d11s15;s14;s9;s18;d19;s20;d21;s19s22;s5;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H25FN2O2S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.61813 |
Area: | 568.631 |
Solvation: | -4.59764 |
Coulombic: | -37.1992 |
Bond Count [?]
All: | 27 |
Single: | 20 |
Double: | 7 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 376.489 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 2.89 |
LogP (Chemaxon): | 2.95 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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