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Chemical ID: 6143898
Chemical ID:
6143898
Name [?]:
N-[5-[(4-chlorophenyl)methyl]thiazol-2-yl]thiophene-2-carboxamide
SMILES [?]:
c1cc(sc1)C(=O)Nc2ncc(s2)Cc3ccc(cc3)Cl
InChi [?]:
InChI=1/C15H11ClN2OS2/c16-11-5-3-10(4-6-11)8-12-9-17-15(21-12)18-14(19)13-2-1-7-20-13/h1-7,9H,8H2,(H,17,18,19)
InChi Info:
AuxInfo=1/1/N:1,2,16,20,17,19,5,14,11,15,18,12,3,6,9,21,10,8,7,4,13/E:(3,4)(5,6)/rA:21nCCCSCCONCNCCSCCCCCCCCl/rB:s1;d2;s3;d1s4;s3;d6;s6;s8;d9;s10;d11;s9s12;s12;s14;s15;d16;s17;d18;d15s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H11ClN2OS2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.7757 |
Area: | 535.426 |
Solvation: | -2.60992 |
Coulombic: | -29.0445 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 334.845 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.59 |
LogP (Chemaxon): | 3.98 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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