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Chemical ID: 6019620
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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