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Chemical ID: 5535005
Chemical ID:
5535005
Name [?]:
2-(4-chlorophenoxy)-N-(5-methyl-4-phenyl-thiazol-2-yl)-acetamide
SMILES [?]:
Cc1c(nc(s1)NC(=O)COc2ccc(cc2)Cl)c3ccccc3
InChi [?]:
InChI=1/C18H15ClN2O2S/c1-12-17(13-5-3-2-4-6-13)21-18(24-12)20-16(22)11-23-15-9-7-14(19)8-10-15/h2-10H,11H2,1H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,22,21,23,20,24,14,16,13,17,10,2,19,15,12,8,3,5,18,7,4,9,11,6/E:(3,4)(5,6)(7,8)(9,10)/rA:24nCCCNCSNCOCOCCCCCCClCCCCCC/rB:s1;d2;s3;d4;s2s5;s5;s7;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s15;s3;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H15ClN2O2S |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.90292 |
Area: | 574.721 |
Solvation: | -4.46512 |
Coulombic: | -35.6039 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 358.843 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.98 |
LogP (Chemaxon): | 4.73 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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