Chemical ID: 5916322

CCCC(=O)N(CCC)CC(=O)N(Cc1ccccc1)Cc2ccc(s2)C
Chemical ID:
5916322
Name [?]:
N-[[benzyl-[(5-methyl-2-thienyl)methyl]carbamoyl]methyl]-N-propyl-butanamide
SMILES [?]:
CCCC(=O)N(CCC)CC(=O)N(Cc1ccccc1)Cc2ccc(s2)C
InChi [?]:
InChI=1/C22H30N2O2S/c1-4-9-21(25)23(14-5-2)17-22(26)24(15-19-10-7-6-8-11-19)16-20-13-12-18(3)27-20/h6-8,10-13H,4-5,9,14-17H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,9,27,2,8,18,17,19,3,16,20,24,23,7,14,21,10,25,15,22,4,11,6,13,5,12,26/E:(7,8)(10,11)/rA:27nCCCCONCCCCCONCCCCCCCCCCCCSC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s6;s10;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s13;s21;d22;s23;d24;s22s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H30N2O2S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:12.1522
Area:635.683
Solvation:-3.73988
Coulombic:-34.8775
Bond Count [?]
All:28
Single:21
Double:7
Rotors:12
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:386.552
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.1
LogP (Chemaxon):3.43

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