Chemical ID: 5920996

Cc1ccc(s1)CN(Cc2ccc(cc2)F)C(=O)CN(C3CCCCC3)C(=O)C
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

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Descriptor Annotations

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