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Chemical ID: 6266704

COc1cccc(c1)c2csc(n2)NC(=O)c3ccc(cc3)C(=O)c4ccccc4

Chemical ID:

6266704

Name [?]:

4-benzoyl-N-[4-(3-methoxyphenyl)thiazol-2-yl]-benzamide

SMILES [?]:

COc1cccc(c1)c2csc(n2)NC(=O)c3ccc(cc3)C(=O)c4ccccc4

InChi [?]:

InChI=1/C24H18N2O3S/c1-29-20-9-5-8-19(14-20)21-15-30-24(25-21)26-23(28)18-12-10-17(11-13-18)22(27)16-6-3-2-4-7-16/h2-15H,1H3,(H,25,26,28)

InChi Info:

AuxInfo=1/1/N:1,28,27,29,5,26,30,6,4,19,21,18,22,8,10,25,20,17,7,3,9,23,15,12,13,14,24,16,2,11/E:(3,4)(6,7)(10,11)(12,13)/rA:30nCOCCCCCCCCSCNNCOCCCCCCCOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;d9;s10;s11;s9d12;s12;s14;d15;s15;s17;d18;s19;d20;d17s21;s20;d23;s23;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₁₈N₂O₃S
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	11.4513
Area:	645.455
Solvation:	-4.68511
Coulombic:	-45.9936

Bond Count [?]

All:	33
Single:	20
Double:	13
Rotors:	7
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	414.477
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	5.3
LogP (Chemaxon):	5.41

Name Annotations

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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