Chemical ID: 6019620

CC(C)NCC(=O)N(Cc1ccccc1)Cc2cccs2
Chemical ID:
6019620
Name [?]:
N-benzyl-2-isopropylamino-N-(2-thienylmethyl)acetamide
SMILES [?]:
CC(C)NCC(=O)N(Cc1ccccc1)Cc2cccs2
InChi [?]:
InChI=1/C17H22N2OS/c1-14(2)18-11-17(20)19(13-16-9-6-10-21-16)12-15-7-4-3-5-8-15/h3-10,14,18H,11-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,13,12,14,19,11,15,18,20,5,9,16,2,10,17,6,4,8,7,21/E:(1,2)(4,5)(7,8)/rA:21nCCCNCCONCCCCCCCCCCCCS/rB:s1;s2;s2;s4;s5;d6;s6;s8;s9;s10;d11;s12;d13;d10s14;s8;s16;d17;s18;d19;s17s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H22N2OS
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:10.1264
Area:518.4
Solvation:-2.83362
Coulombic:-27.6443
Bond Count [?]
All:22
Single:16
Double:6
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:302.435
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.5
LogP (Chemaxon):2.69

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