Chemical ID: 6024446

Cc1ccsc1CN(Cc2ccc(cc2)F)C(=O)CN(CCN3CCCC3)C(=O)C4CCCCC4
Chemical ID:
6024446
Name [?]:
N-[[(4-fluorophenyl)methyl-[(3-methyl-2-thienyl)methyl]carbamoyl]methyl]-N-(2-pyrrolidin-1-ylethyl)cyclohexanecarboxamide
SMILES [?]:
Cc1ccsc1CN(Cc2ccc(cc2)F)C(=O)CN(CCN3CCCC3)C(=O)C4CCCCC4
InChi [?]:
InChI=1/C28H38FN3O2S/c1-22-13-18-35-26(22)20-32(19-23-9-11-25(29)12-10-23)27(33)21-31(17-16-30-14-5-6-15-30)28(34)24-7-3-2-4-8-24/h9-13,18,24H,2-8,14-17,19-21H2,1H3
InChi Info:
AuxInfo=1/0/N:1,33,32,34,25,26,31,35,11,15,12,14,3,24,27,22,21,4,9,7,19,2,10,30,13,6,17,28,16,23,20,8,18,29,5/E:(3,4)(5,6)(7,8)(9,10)(11,12)(14,15)/rA:35nCCCCSCCNCCCCCCCFCOCNCCNCCCCCOCCCCCC/rB:s1;s2;d3;s4;d2s5;s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s13;s8;d17;s17;s19;s20;s21;s22;s23;s24;s25;s23s26;s20;d28;s28;s30;s31;s32;s33;s30s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H38FN3O2S
All Atoms:35
Heavy Atoms:35
Chiral Atoms:0
ZAP Information [?]
Total:12.8862
Area:707.913
Solvation:-4.81164
Coulombic:-43.103
Bond Count [?]
All:38
Single:31
Double:7
Rotors:12
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:499.685
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:4.23
LogP (Chemaxon):4.39

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