Chemical ID: 6024394

CCCCCC(=O)N(CC(=O)N(Cc1ccc(cc1)F)Cc2c(ccs2)C)C(C)C
Chemical ID:
6024394
Name [?]:
N-[[(4-fluorophenyl)methyl-[(3-methyl-2-thienyl)methyl]carbamoyl]methyl]-N-isopropyl-hexanamide
SMILES [?]:
CCCCCC(=O)N(CC(=O)N(Cc1ccc(cc1)F)Cc2c(ccs2)C)C(C)C
InChi [?]:
InChI=1/C24H33FN2O2S/c1-5-6-7-8-23(28)27(18(2)3)17-24(29)26(16-22-19(4)13-14-30-22)15-20-9-11-21(25)12-10-20/h9-14,18H,5-8,15-17H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,29,30,27,2,3,4,5,15,19,16,18,24,25,13,21,9,28,23,14,17,22,6,10,20,12,8,7,11,26/E:(2,3)(9,10)(11,12)/rA:30nCCCCCCONCCONCCCCCCCFCCCCCSCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s17;s12;s21;d22;s23;d24;s22s25;s23;s8;s28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H33FN2O2S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:12.0683
Area:661.935
Solvation:-4.48006
Coulombic:-38.2822
Bond Count [?]
All:31
Single:24
Double:7
Rotors:13
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:432.595
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.8
LogP (Chemaxon):4.78

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Descriptor Annotations

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