Chemical ID: 6026147

CCCCNC(=O)N(CC(=O)N(Cc1ccc(cc1)F)Cc2cccs2)C(C)CC
Chemical ID:
6026147
Name [?]:
2-(butylcarbamoyl-sec-butyl-amino)-N-[(4-fluorophenyl)methyl]-N-(2-thienylmethyl)acetamide
SMILES [?]:
CCCCNC(=O)N(CC(=O)N(Cc1ccc(cc1)F)Cc2cccs2)C(C)CC
InChi [?]:
InChI=1/C23H32FN3O2S/c1-4-6-13-25-23(29)27(18(3)5-2)17-22(28)26(16-21-8-7-14-30-21)15-19-9-11-20(24)12-10-19/h7-12,14,18H,4-6,13,15-17H2,1-3H3,(H,25,29)
InChi Info:
AuxInfo=1/1/N:1,30,28,2,29,3,24,23,15,19,16,18,4,25,13,21,9,27,14,17,22,10,6,20,5,12,8,11,7,26/E:(9,10)(11,12)/rA:30cCCCCNCONCCONCCCCCCCFCCCCCSCCCC/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;s8;s27;s27;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H32FN3O2S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:12.4345
Area:668.353
Solvation:-4.2743
Coulombic:-53.2775
Bond Count [?]
All:31
Single:24
Double:7
Rotors:14
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:433.584
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.04
LogP (Chemaxon):4.15

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue