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Chemical ID: 4324294
Chemical ID:
4324294
Name [?]:
N-[5-[(2,5-dichlorophenyl)methyl]thiazol-2-yl]thiophene-2-carboxamide
SMILES [?]:
c1cc(sc1)C(=O)Nc2ncc(s2)Cc3cc(ccc3Cl)Cl
InChi [?]:
InChI=1/C15H10Cl2N2OS2/c16-10-3-4-12(17)9(6-10)7-11-8-18-15(22-11)19-14(20)13-2-1-5-21-13/h1-6,8H,7H2,(H,18,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,18,19,5,16,14,11,15,17,12,20,3,6,9,22,21,10,8,7,4,13/rA:22nCCCSCCONCNCCSCCCCCCCClCl/rB:s1;d2;s3;d1s4;s3;d6;s6;s8;d9;s10;d11;s9s12;s12;s14;s15;d16;s17;d18;d15s19;s20;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H10Cl2N2OS2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.1085 |
Area: | 552.199 |
Solvation: | -2.69647 |
Coulombic: | -28.9801 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 369.29 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.21 |
LogP (Chemaxon): | 4.5 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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