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Chemical ID: 5920996
Chemical ID:
5920996
Name [?]:
N-cyclohexyl-N-[[(4-fluorophenyl)methyl-[(5-methyl-2-thienyl)methyl]carbamoyl]methyl]acetamide
SMILES [?]:
Cc1ccc(s1)CN(Cc2ccc(cc2)F)C(=O)CN(C3CCCCC3)C(=O)C
InChi [?]:
InChI=1/C23H29FN2O2S/c1-17-8-13-22(29-17)15-25(14-19-9-11-20(24)12-10-19)23(28)16-26(18(2)27)21-6-4-3-5-7-21/h8-13,21H,3-7,14-16H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,29,24,23,25,22,26,3,11,15,12,14,4,9,7,19,2,27,10,13,21,5,17,16,8,20,28,18,6/E:(4,5)(6,7)(9,10)(11,12)/rA:29nCCCCCSCNCCCCCCCFCOCNCCCCCCCOC/rB:s1;d2;s3;d4;s2s5;s5;s7;s8;s9;s10;d11;s12;d13;d10s14;s13;s8;d17;s17;s19;s20;s21;s22;s23;s24;s21s25;s20;d27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H29FN2O2S |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.0452 |
Area: | 622.772 |
Solvation: | -4.52408 |
Coulombic: | -36.9714 |
Bond Count [?]
All: | 31 |
Single: | 24 |
Double: | 7 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 416.553 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.49 |
LogP (Chemaxon): | 3.32 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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