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Chemical ID: 4378636
Chemical ID:
4378636
Name [?]:
N-[3-[2-(2,5-dimethoxyphenyl)aminothiazol-4-yl]phenyl]benzamide
SMILES [?]:
COc1ccc(c(c1)Nc2nc(cs2)c3cccc(c3)NC(=O)c4ccccc4)OC
InChi [?]:
InChI=1/C24H21N3O3S/c1-29-19-11-12-22(30-2)20(14-19)26-24-27-21(15-31-24)17-9-6-10-18(13-17)25-23(28)16-7-4-3-5-8-16/h3-15H,1-2H3,(H,25,28)(H,26,27)
InChi Info:
AuxInfo=1/1/N:1,31,27,26,28,17,25,29,16,18,4,5,20,8,13,24,15,19,3,7,12,6,22,10,21,9,11,23,2,30,14/E:(4,5)(7,8)/rA:31nCOCCCCCCNCNCCSCCCCCCNCOCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s11;d12;s10s13;s12;s15;d16;s17;d18;d15s19;s19;s21;d22;s22;s24;d25;s26;d27;d24s28;s6;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H21N3O3S |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.9977 |
Area: | 666.367 |
Solvation: | -5.66147 |
Coulombic: | -54.7674 |
Bond Count [?]
All: | 34 |
Single: | 22 |
Double: | 12 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 431.508 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 4.87 |
LogP (Chemaxon): | 5.19 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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