Chemical ID: 6024330

CCCC(=O)N(CC(C)C)CC(=O)N(Cc1ccc(cc1)F)Cc2c(ccs2)C
Chemical ID:
6024330
Name [?]:
N-[[(4-fluorophenyl)methyl-[(3-methyl-2-thienyl)methyl]carbamoyl]methyl]-N-isobutyl-butanamide
SMILES [?]:
CCCC(=O)N(CC(C)C)CC(=O)N(Cc1ccc(cc1)F)Cc2c(ccs2)C
InChi [?]:
InChI=1/C23H31FN2O2S/c1-5-6-22(27)25(13-17(2)3)16-23(28)26(15-21-18(4)11-12-29-21)14-19-7-9-20(24)10-8-19/h7-12,17H,5-6,13-16H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,9,10,29,2,3,17,21,18,20,26,27,7,15,23,11,8,25,16,19,24,4,12,22,6,14,5,13,28/E:(2,3)(7,8)(9,10)/rA:29nCCCCONCCCCCCONCCCCCCCFCCCCCSC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s8;s6;s11;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;s19;s14;s23;d24;s25;d26;s24s27;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H31FN2O2S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:11.5299
Area:640.522
Solvation:-4.48319
Coulombic:-38.2795
Bond Count [?]
All:30
Single:23
Double:7
Rotors:12
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:418.569
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.85
LogP (Chemaxon):4.44

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