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Chemical ID: 5940506
Chemical ID:
5940506
Name [?]:
4-methoxy-N-[4-[2-(3-methoxyphenyl)aminothiazol-4-yl]phenyl]-benzamide
SMILES [?]:
COc1ccc(cc1)C(=O)Nc2ccc(cc2)c3csc(n3)Nc4cccc(c4)OC
InChi [?]:
InChI=1/C24H21N3O3S/c1-29-20-12-8-17(9-13-20)23(28)25-18-10-6-16(7-11-18)22-15-31-24(27-22)26-19-4-3-5-21(14-19)30-2/h3-15H,1-2H3,(H,25,28)(H,26,27)
InChi Info:
AuxInfo=1/1/N:1,31,26,25,27,14,16,5,7,13,17,4,8,29,19,15,6,12,24,3,28,18,9,21,11,23,22,10,2,30,20/E:(6,7)(8,9)(10,11)(12,13)/rA:31nCOCCCCCCCONCCCCCCCCSCNNCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;d13;s14;d15;d12s16;s15;d18;s19;s20;s18d21;s21;s23;s24;d25;s26;d27;d24s28;s28;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H21N3O3S |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.4597 |
Area: | 673.8 |
Solvation: | -5.38527 |
Coulombic: | -54.4122 |
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
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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