Chemical ID: 5913786

CC(C)(C)NCC(=O)N(Cc1ccccc1)Cc2cccs2
Chemical ID:
5913786
Name [?]:
N-benzyl-2-tert-butylamino-N-(2-thienylmethyl)acetamide
SMILES [?]:
CC(C)(C)NCC(=O)N(Cc1ccccc1)Cc2cccs2
InChi [?]:
InChI=1/C18H24N2OS/c1-18(2,3)19-12-17(21)20(14-16-10-7-11-22-16)13-15-8-5-4-6-9-15/h4-11,19H,12-14H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,14,13,15,20,12,16,19,21,6,10,17,11,18,7,2,5,9,8,22/E:(1,2,3)(5,6)(8,9)/rA:22nCCCCNCCONCCCCCCCCCCCCS/rB:s1;s2;s2;s2;s5;s6;d7;s7;s9;s10;s11;d12;s13;d14;d11s15;s9;s17;d18;s19;d20;s18s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H24N2OS
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.2536
Area:521.392
Solvation:-2.78123
Coulombic:-27.7323
Bond Count [?]
All:23
Single:17
Double:6
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:316.462
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.92
LogP (Chemaxon):2.77

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