Chemical ID: 7005262

c1cc(ccc1CC(=O)Nc2ncc(s2)Cc3ccc(c(c3)Cl)Cl)Cl
Chemical ID:
7005262
Name [?]:
2-(4-chlorophenyl)-N-[5-[(3,4-dichlorophenyl)methyl]thiazol-2-yl]-acetamide
SMILES [?]:
c1cc(ccc1CC(=O)Nc2ncc(s2)Cc3ccc(c(c3)Cl)Cl)Cl
InChi [?]:
InChI=1/C18H13Cl3N2OS/c19-13-4-1-11(2-5-13)9-17(24)23-18-22-10-14(25-18)7-12-3-6-15(20)16(21)8-12/h1-6,8,10H,7,9H2,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,5,18,2,4,19,16,22,7,13,6,17,3,14,20,21,8,11,25,24,23,12,10,9,15/E:(1,2)(4,5)/rA:25nCCCCCCCCONCNCCSCCCCCCCClClCl/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s10;d11;s12;d13;s11s14;s14;s16;s17;d18;s19;d20;d17s21;s21;s20;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H13Cl3N2OS
All Atoms:38
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:11.9056
Area:622.639
Solvation:-3.66033
Coulombic:-27.4702
Bond Count [?]
All:27
Single:18
Double:9
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:411.733
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.62
LogP (Chemaxon):5.71

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