Chemical ID: 7062165

CCCc1nnc(s1)NC(=O)c2ccccc2CC(C#N)Cl
Chemical ID:
7062165
Name [?]:
2-(2-chloro-2-cyano-ethyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)-benzamide
SMILES [?]:
CCCc1nnc(s1)NC(=O)c2ccccc2CC(C#N)Cl
InChi [?]:
InChI=1/C15H15ClN4OS/c1-2-5-13-19-20-15(22-13)18-14(21)12-7-4-3-6-10(12)8-11(16)9-17/h3-4,6-7,11H,2,5,8H2,1H3,(H,18,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,15,14,3,16,13,18,20,17,19,12,4,10,7,22,21,9,5,6,11,8/rA:22cCCCCNNCSNCOCCCCCCCCCNCl/rB:s1;s2;s3;d4;s5;d6;s4s7;s7;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;s18;s19;t20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H15ClN4OS
All Atoms:37
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:10.6598
Area:545.361
Solvation:-2.97421
Coulombic:-29.9712
Bond Count [?]
All:23
Single:16
Double:6
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:334.825
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.31
LogP (Chemaxon):3.27

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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