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Chemical ID: 3954015
Chemical ID:
3954015
Name [?]:
N-(2,3-dimethylphenyl)-2-(2-thienylmethylamino)acetamide
SMILES [?]:
Cc1cccc(c1C)NC(=O)CNCc2cccs2
InChi [?]:
InChI=1/C15H18N2OS/c1-11-5-3-7-14(12(11)2)17-15(18)10-16-9-13-6-4-8-19-13/h3-8,16H,9-10H2,1-2H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,8,4,17,3,16,5,18,14,12,2,7,15,6,10,13,9,11,19/rA:19nCCCCCCCCNCOCNCCCCCS/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;d10;s10;s12;s13;s14;d15;s16;d17;s15s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H18N2OS |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.17313 |
Area: | 489.355 |
Solvation: | -3.06075 |
Coulombic: | -30.0332 |
Bond Count [?]
All: | 20 |
Single: | 14 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 274.382 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 2.0 |
LogP (Chemaxon): | 2.35 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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