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Chemical ID: 7005262
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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