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Chemical ID: 7142971
Chemical ID:
7142971
Name [?]:
N-[4-[5-[[2-[(4-chlorophenyl)methoxy]phenyl]methylene]-4-oxo-thiazol-2-yl]aminophenyl]acetamide
SMILES [?]:
CC(=O)Nc1ccc(cc1)NC2=NC(=O)C(=Cc3ccccc3OCc4ccc(cc4)Cl)S2
InChi [?]:
InChI=1/C25H20ClN3O3S/c1-16(30)27-20-10-12-21(13-11-20)28-25-29-24(31)23(33-25)14-18-4-2-3-5-22(18)32-15-17-6-8-19(26)9-7-17/h2-14H,15H2,1H3,(H,27,30)(H,28,29,31)
InChi Info:
AuxInfo=1/1/N:1,20,21,19,22,27,31,28,30,6,10,7,9,17,25,2,26,18,29,5,8,23,16,14,12,32,4,11,13,3,15,24,33/E:(6,7)(8,9)(10,11)(12,13)/rA:33nCCONCCCCCCNCNCOCCCCCCCCOCCCCCCCClS/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;s13;d14;s14;w16;s17;s18;d19;s20;d21;d18s22;s23;s24;s25;s26;d27;s28;d29;d26s30;s29;s12s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H20ClN3O3S |
All Atoms: | 53 |
Heavy Atoms: | 33 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 13.6171 |
Area: | 730.664 |
Solvation: | -4.64954 |
Coulombic: | -57.6628 |
Bond Count [?]
All: | 36 |
Single: | 23 |
Double: | 13 |
Rotors: | 8 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.43 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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