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Chemical ID: 7143035
Chemical ID:
7143035
Name [?]:
N-[4-[5-[[4-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]methylene]-4-oxo-thiazol-2-yl]aminophenyl]acetamide
SMILES [?]:
CC(=O)Nc1ccc(cc1)NC2=NC(=O)C(=Cc3ccc(c(c3)OC)OCc4ccc(cc4)Cl)S2
InChi [?]:
InChI=1/C26H22ClN3O4S/c1-16(31)28-20-8-10-21(11-9-20)29-26-30-25(32)24(35-26)14-18-5-12-22(23(13-18)33-2)34-15-17-3-6-19(27)7-4-17/h3-14H,15H2,1-2H3,(H,28,31)(H,29,30,32)
InChi Info:
AuxInfo=1/1/N:1,25,29,33,19,30,32,6,10,7,9,20,23,17,27,2,28,18,31,5,8,21,22,16,14,12,34,4,11,13,3,15,24,26,35/E:(3,4)(6,7)(8,9)(10,11)/rA:35nCCONCCCCCCNCNCOCCCCCCCCOCOCCCCCCCClS/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;s13;d14;s14;w16;s17;s18;d19;s20;d21;d18s22;s22;s24;s21;s26;s27;s28;d29;s30;d31;d28s32;s31;s12s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H22ClN3O4S |
All Atoms: | 57 |
Heavy Atoms: | 35 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 12.1719 |
Area: | 768.533 |
Solvation: | -7.04144 |
Coulombic: | -63.2522 |
Bond Count [?]
All: | 38 |
Single: | 25 |
Double: | 13 |
Rotors: | 9 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.08 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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