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Chemical ID: 6446113
Chemical ID:
6446113
Name [?]:
N-[[4-[(2-chloro-6-fluoro-phenyl)methoxy]phenyl]methyleneamino]-4-(2,4-dichlorophenyl)-thiazol-2-amine
SMILES [?]:
c1cc(c(c(c1)Cl)COc2ccc(cc2)C=NNc3nc(cs3)c4ccc(cc4Cl)Cl)F
InChi [?]:
InChI=1/C23H15Cl3FN3OS/c24-15-6-9-17(20(26)10-15)22-13-32-23(29-22)30-28-11-14-4-7-16(8-5-14)31-12-18-19(25)2-1-3-21(18)27/h1-11,13H,12H2,(H,29,30)
InChi Info:
AuxInfo=1/1/N:1,6,2,12,14,26,11,15,25,28,16,8,22,13,27,10,24,4,5,29,3,21,19,31,7,30,32,17,20,18,9,23/E:(4,5)(7,8)/rA:32nCCCCCCClCOCCCCCCCNNCNCCSCCCCCCClClF/rB:s1;d2;s3;d4;d1s5;s5;s4;s8;s9;s10;d11;s12;d13;d10s14;s13;w16;s17;s18;d19;s20;d21;s19s22;s21;s24;d25;s26;d27;d24s28;s29;s27;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H15Cl3FN3OS |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.2796 |
Area: | 713.773 |
Solvation: | -4.56469 |
Coulombic: | -30.3541 |
Bond Count [?]
All: | 35 |
Single: | 23 |
Double: | 12 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 506.807 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 8.83 |
LogP (Chemaxon): | 8.37 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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