Chemical ID: 5920888

Cc1ccc(s1)CN(Cc2ccc(cc2)F)C(=O)CN(CC(C)C)C(=O)c3cccs3
Chemical ID:
5920888
Name [?]:
N-[[(4-fluorophenyl)methyl-[(5-methyl-2-thienyl)methyl]carbamoyl]methyl]-N-isobutyl-thiophene-2-carboxamide
SMILES [?]:
Cc1ccc(s1)CN(Cc2ccc(cc2)F)C(=O)CN(CC(C)C)C(=O)c3cccs3
InChi [?]:
InChI=1/C24H27FN2O2S2/c1-17(2)13-27(24(29)22-5-4-12-30-22)16-23(28)26(15-21-11-6-18(3)31-21)14-19-7-9-20(25)10-8-19/h4-12,17H,13-16H2,1-3H3
InChi Info:
AuxInfo=1/0/N:23,24,1,29,28,3,11,15,12,14,4,30,21,9,7,19,22,2,10,13,5,27,17,25,16,8,20,18,26,31,6/E:(1,2)(7,8)(9,10)/rA:31nCCCCCSCNCCCCCCCFCOCNCCCCCOCCCCS/rB:s1;d2;s3;d4;s2s5;s5;s7;s8;s9;s10;d11;s12;d13;d10s14;s13;s8;d17;s17;s19;s20;s21;s22;s22;s20;d25;s25;d27;s28;d29;s27s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H27FN2O2S2
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:12.478
Area:667.371
Solvation:-4.20625
Coulombic:-41.078
Bond Count [?]
All:33
Single:24
Double:9
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:458.614
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.48
LogP (Chemaxon):4.09

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