Chemical ID: 6924243

CCCCCc1nnc(s1)NC(=O)c2ccccc2OCC
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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