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Chemical ID: 5940520
Chemical ID:
5940520
Name [?]:
N-[4-[2-(3-methoxyphenyl)aminothiazol-4-yl]phenyl]-2-methyl-benzamide
SMILES [?]:
Cc1ccccc1C(=O)Nc2ccc(cc2)c3csc(n3)Nc4cccc(c4)OC
InChi [?]:
InChI=1/C24H21N3O2S/c1-16-6-3-4-9-21(16)23(28)25-18-12-10-17(11-13-18)22-15-30-24(27-22)26-19-7-5-8-20(14-19)29-2/h3-15H,1-2H3,(H,25,28)(H,26,27)
InChi Info:
AuxInfo=1/1/N:1,30,4,5,25,3,24,26,6,13,15,12,16,28,18,2,14,11,23,27,7,17,8,20,10,22,21,9,29,19/E:(10,11)(12,13)/rA:30nCCCCCCCCONCCCCCCCCSCNNCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s10;s11;d12;s13;d14;d11s15;s14;d17;s18;s19;s17d20;s20;s22;s23;d24;s25;d26;d23s27;s27;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H21N3O2S |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.2145 |
Area: | 647.488 |
Solvation: | -3.97266 |
Coulombic: | -48.324 |
Bond Count [?]
All: | 33 |
Single: | 21 |
Double: | 12 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 415.509 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 5.39 |
LogP (Chemaxon): | 5.91 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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