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Chemical ID: 6924243
Chemical ID:
6924243
Name [?]:
2-ethoxy-N-(5-pentyl-1,3,4-thiadiazol-2-yl)-benzamide
SMILES [?]:
CCCCCc1nnc(s1)NC(=O)c2ccccc2OCC
InChi [?]:
InChI=1/C16H21N3O2S/c1-3-5-6-11-14-18-19-16(22-14)17-15(20)12-9-7-8-10-13(12)21-4-2/h7-10H,3-6,11H2,1-2H3,(H,17,19,20)
InChi Info:
AuxInfo=1/1/N:1,22,2,21,3,4,16,17,15,18,5,14,19,6,12,9,11,7,8,13,20,10/rA:22nCCCCCCNNCSNCOCCCCCCOCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;s6s9;s9;s11;d12;s12;s14;d15;s16;d17;d14s18;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H21N3O2S |
All Atoms: | 43 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.29074 |
Area: | 556.188 |
Solvation: | -4.61397 |
Coulombic: | -32.6388 |
Bond Count [?]
All: | 23 |
Single: | 17 |
Double: | 6 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 319.423 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.8 |
LogP (Chemaxon): | 3.21 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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