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Chemical ID: 4775707
Chemical ID:
4775707
Name [?]:
N-[[4-(4-chlorophenyl)thiazol-2-yl]thiocarbamoyl]cyclopropanecarboxamide
SMILES [?]:
c1cc(ccc1c2csc(n2)NC(=S)NC(=O)C3CC3)Cl
InChi [?]:
InChI=1/C14H12ClN3OS2/c15-10-5-3-8(4-6-10)11-7-21-14(16-11)18-13(20)17-12(19)9-1-2-9/h3-7,9H,1-2H2,(H2,16,17,18,19,20)
InChi Info:
AuxInfo=1/1/N:19,20,1,5,2,4,8,6,18,3,7,16,13,10,21,11,15,12,17,14,9/E:(1,2)(3,4)(5,6)/rA:21nCCCCCCCCSCNNCSNCOCCCCl/rB:s1;d2;s3;d4;d1s5;s6;d7;s8;s9;s7d10;s10;s12;d13;s13;s15;d16;s16;s18;s18s19;s3;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H12ClN3OS2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.521 |
Area: | 528.245 |
Solvation: | -2.68511 |
Coulombic: | -39.1748 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 337.849 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 3.39 |
LogP (Chemaxon): | 4.38 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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