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Chemical ID: 4301585
Chemical ID:
4301585
Name [?]:
N-[5-[(3,4-dichlorophenyl)methyl]thiazol-2-yl]-2-phenyl-acetamide
SMILES [?]:
c1ccc(cc1)CC(=O)Nc2ncc(s2)Cc3ccc(c(c3)Cl)Cl
InChi [?]:
InChI=1/C18H14Cl2N2OS/c19-15-7-6-13(9-16(15)20)8-14-11-21-18(24-14)22-17(23)10-12-4-2-1-3-5-12/h1-7,9,11H,8,10H2,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,18,19,16,22,7,13,4,17,14,20,21,8,11,24,23,12,10,9,15/E:(2,3)(4,5)/rA:24nCCCCCCCCONCNCCSCCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;d11;s12;d13;s11s14;s14;s16;s17;d18;s19;d20;d17s21;s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H14Cl2N2OS |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.9738 |
Area: | 587.776 |
Solvation: | -3.7206 |
Coulombic: | -27.3036 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 377.288 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.0 |
LogP (Chemaxon): | 5.2 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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