Chemical ID: 6260761

c1cc2c(cc1c3csc(n3)NC(=O)COc4ccc(cc4Cl)Cl)OCO2
Chemical ID:
6260761
Name [?]:
N-(4-benzo[1,3]dioxol-5-ylthiazol-2-yl)-2-(2,4-dichlorophenoxy)-acetamide
SMILES [?]:
c1cc2c(cc1c3csc(n3)NC(=O)COc4ccc(cc4Cl)Cl)OCO2
InChi [?]:
InChI=1/C18H12Cl2N2O4S/c19-11-2-4-14(12(20)6-11)24-7-17(23)22-18-21-13(8-27-18)10-1-3-15-16(5-10)26-9-25-15/h1-6,8H,7,9H2,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,19,2,18,5,21,15,8,26,6,20,22,7,17,3,4,13,10,24,23,11,12,14,16,27,25,9/rA:27nCCCCCCCCSCNNCOCOCCCCCCClClOCO/rB:s1;d2;s3;d4;d1s5;s6;d7;s8;s9;s7d10;s10;s12;d13;s13;s15;s16;s17;d18;s19;d20;d17s21;s22;s20;s4;s25;s3s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H12Cl2N2O4S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:9.26772
Area:628.813
Solvation:-6.4526
Coulombic:-49.8607
Bond Count [?]
All:30
Single:21
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:423.27
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.51
LogP (Chemaxon):4.94

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Descriptor Annotations

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