Chemical ID: 7062164

Cc1nnc(s1)NC(=O)c2ccccc2CC(C#N)Cl
Chemical ID:
7062164
Name [?]:
2-(2-chloro-2-cyano-ethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-benzamide
SMILES [?]:
Cc1nnc(s1)NC(=O)c2ccccc2CC(C#N)Cl
InChi [?]:
InChI=1/C13H11ClN4OS/c1-8-17-18-13(20-8)16-12(19)11-5-3-2-4-9(11)6-10(14)7-15/h2-5,10H,6H2,1H3,(H,16,18,19)
InChi Info:
AuxInfo=1/1/N:1,13,12,14,11,16,18,2,15,17,10,8,5,20,19,7,3,4,9,6/rA:20cCCNNCSNCOCCCCCCCCCNCl/rB:s1;d2;s3;d4;s2s5;s5;s7;d8;s8;s10;d11;s12;d13;d10s14;s15;s16;s17;t18;s17;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H11ClN4OS
All Atoms:31
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:9.31247
Area:493.398
Solvation:-3.02248
Coulombic:-29.0793
Bond Count [?]
All:21
Single:14
Double:6
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:306.772
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.49
LogP (Chemaxon):2.24

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