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Chemical ID: 6260761
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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