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Chemical ID: 4185606
Chemical ID:
4185606
Name [?]:
N-benzyl-N'-thiazol-2-yl-oxamide
SMILES [?]:
c1ccc(cc1)CNC(=O)C(=O)Nc2nccs2
InChi [?]:
InChI=1/C12H11N3O2S/c16-10(11(17)15-12-13-6-7-18-12)14-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,14,16)(H,13,15,17)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,16,17,7,4,9,11,14,15,8,13,10,12,18/E:(2,3)(4,5)/rA:18nCCCCCCCNCOCONCNCCS/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;d11;s11;s13;d14;s15;d16;s14s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H11N3O2S |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.836 |
Area: | 459.62 |
Solvation: | -2.65451 |
Coulombic: | -52.2317 |
Bond Count [?]
All: | 19 |
Single: | 12 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 261.301 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 0.74 |
LogP (Chemaxon): | 1.72 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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