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Chemical ID: 6380703
Chemical ID:
6380703
Name [?]:
N-[4-(2,4-dichlorophenyl)thiazol-2-yl]-2-(4-methoxyphenyl)-acetamide
SMILES [?]:
COc1ccc(cc1)CC(=O)Nc2nc(cs2)c3ccc(cc3Cl)Cl
InChi [?]:
InChI=1/C18H14Cl2N2O2S/c1-24-13-5-2-11(3-6-13)8-17(23)22-18-21-16(10-25-18)14-7-4-12(19)9-15(14)20/h2-7,9-10H,8H2,1H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,5,7,20,4,8,19,9,22,16,6,21,3,18,23,15,10,13,25,24,14,12,11,2,17/E:(2,3)(5,6)/rA:25nCOCCCCCCCCONCNCCSCCCCCCClCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;d13;s14;d15;s13s16;s15;s18;d19;s20;d21;d18s22;s23;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H14Cl2N2O2S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2436 |
Area: | 589.414 |
Solvation: | -4.49171 |
Coulombic: | -34.0445 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 393.287 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.8 |
LogP (Chemaxon): | 5.34 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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