Chemical ID: 6360051

c1cc(ccc1c2csc(n2)NC(=O)CC#N)Cl
Chemical ID:
6360051
Name [?]:
N-[4-(4-chlorophenyl)thiazol-2-yl]-3-nitrido-propanamide
SMILES [?]:
c1cc(ccc1c2csc(n2)NC(=O)CC#N)Cl
InChi [?]:
InChI=1/C12H8ClN3OS/c13-9-3-1-8(2-4-9)10-7-18-12(15-10)16-11(17)5-6-14/h1-4,7H,5H2,(H,15,16,17)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,15,16,8,6,3,7,13,10,18,17,11,12,14,9/E:(1,2)(3,4)/rA:18nCCCCCCCCSCNNCOCCNCl/rB:s1;d2;s3;d4;d1s5;s6;d7;s8;s9;s7d10;s10;s12;d13;s13;s15;t16;s3;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H8ClN3OS
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:7.98285
Area:471.578
Solvation:-3.8066
Coulombic:-27.6076
Bond Count [?]
All:19
Single:12
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:277.73
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.06
LogP (Chemaxon):3.43

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