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Chemical ID: 5940506

COc1ccc(cc1)C(=O)Nc2ccc(cc2)c3csc(n3)Nc4cccc(c4)OC

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

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value