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Chemical ID: 6261024
Chemical ID:
6261024
Name [?]:
N-[4-(2,4-dimethoxyphenyl)thiazol-2-yl]-4-phenoxy-benzamide
SMILES [?]:
COc1ccc(c(c1)OC)c2csc(n2)NC(=O)c3ccc(cc3)Oc4ccccc4
InChi [?]:
InChI=1/C24H20N2O4S/c1-28-19-12-13-20(22(14-19)29-2)21-15-31-24(25-21)26-23(27)16-8-10-18(11-9-16)30-17-6-4-3-5-7-17/h3-15H,1-2H3,(H,25,26,27)
InChi Info:
AuxInfo=1/1/N:1,10,29,28,30,27,31,20,24,21,23,4,5,8,12,19,26,22,3,6,11,7,17,14,15,16,18,2,9,25,13/E:(4,5)(6,7)(8,9)(10,11)/rA:31nCOCCCCCCOCCCSCNNCOCCCCCCOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;d11;s12;s13;s11d14;s14;s16;d17;s17;s19;d20;s21;d22;d19s23;s22;s25;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H20N2O4S |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2548 |
Area: | 656.77 |
Solvation: | -6.16446 |
Coulombic: | -49.7386 |
Bond Count [?]
All: | 34 |
Single: | 22 |
Double: | 12 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 432.493 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 5.14 |
LogP (Chemaxon): | 5.37 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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