Chemical ID: 5541719

Cc1c(nc(s1)NC(=O)C(C)Oc2ccc(cc2Cl)Cl)c3ccccc3
Chemical ID:
5541719
Name [?]:
2-(2,4-dichlorophenoxy)-N-(5-methyl-4-phenyl-thiazol-2-yl)-propanamide
SMILES [?]:
Cc1c(nc(s1)NC(=O)C(C)Oc2ccc(cc2Cl)Cl)c3ccccc3
InChi [?]:
InChI=1/C19H16Cl2N2O2S/c1-11(25-16-9-8-14(20)10-15(16)21)18(24)23-19-22-17(12(2)26-19)13-6-4-3-5-7-13/h3-11H,1-2H3,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:11,1,24,23,25,22,26,15,14,17,10,2,21,16,18,13,3,8,5,20,19,4,7,9,12,6/E:(4,5)(6,7)/rA:26cCCCNCSNCOCCOCCCCCCClClCCCCCC/rB:s1;d2;s3;d4;s2s5;s5;s7;d8;s8;s10;s10;s12;s13;d14;s15;d16;d13s17;s18;s16;s3;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H16Cl2N2O2S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:10.9651
Area:616.024
Solvation:-4.43547
Coulombic:-36.2798
Bond Count [?]
All:28
Single:19
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:407.314
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.13
LogP (Chemaxon):5.79

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Descriptor Annotations

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