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Chemical ID: 5492735

COc1ccc(cc1)c2csc(n2)NC(=O)c3ccc(cc3)OCc4ccccc4

Chemical ID:

5492735

Name [?]:

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

SMILES [?]:

COc1ccc(cc1)c2csc(n2)NC(=O)c3ccc(cc3)OCc4ccccc4

InChi [?]:

InChI=1/C24H20N2O3S/c1-28-20-11-7-18(8-12-20)22-16-30-24(25-22)26-23(27)19-9-13-21(14-10-19)29-15-17-5-3-2-4-6-17/h2-14,16H,15H2,1H3,(H,25,26,27)

InChi Info:

AuxInfo=1/1/N:1,28,27,29,26,30,5,7,18,22,4,8,19,21,24,10,25,6,17,3,20,9,15,12,13,14,16,2,23,11/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:30nCOCCCCCCCCSCNNCOCCCCCCOCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s10;s11;s9d12;s12;s14;d15;s15;s17;d18;s19;d20;d17s21;s20;s23;s24;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₀N₂O₃S
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	11.4317
Area:	667.624
Solvation:	-5.25894
Coulombic:	-44.4076

Bond Count [?]

All:	33
Single:	21
Double:	12
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	416.493
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	5.37
LogP (Chemaxon):	5.72

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

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Chemical Mix	Source	External ID	Descriptor	Value