Chemical ID: 5921005

CCC(C)N(CC(=O)N(Cc1ccc(cc1)F)Cc2ccc(s2)C)C(=O)CC
Chemical ID:
5921005
Name [?]:
N-[[(4-fluorophenyl)methyl-[(5-methyl-2-thienyl)methyl]carbamoyl]methyl]-N-sec-butyl-propanamide
SMILES [?]:
CCC(C)N(CC(=O)N(Cc1ccc(cc1)F)Cc2ccc(s2)C)C(=O)CC
InChi [?]:
InChI=1/C22H29FN2O2S/c1-5-16(3)25(21(26)6-2)15-22(27)24(14-20-12-7-17(4)28-20)13-18-8-10-19(23)11-9-18/h7-12,16H,5-6,13-15H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,28,4,24,2,27,21,12,16,13,15,20,10,18,6,3,22,11,14,19,25,7,17,9,5,26,8,23/E:(8,9)(10,11)/rA:28cCCCCNCCONCCCCCCCFCCCCCSCCOCC/rB:s1;s2;s3;s3;s5;s6;d7;s7;s9;s10;s11;d12;s13;d14;d11s15;s14;s9;s18;d19;s20;d21;s19s22;s22;s5;d25;s25;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H29FN2O2S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:11.3133
Area:617.108
Solvation:-4.11438
Coulombic:-38.0576
Bond Count [?]
All:29
Single:22
Double:7
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:404.542
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.15
LogP (Chemaxon):3.59

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