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Chemical ID: 5913786
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
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Experimental Annotations
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Descriptor Annotations
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