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Chemical ID: 5410627

Cc1ccc(cc1)c2csc(n2)NC(=O)CSc3nnc(o3)c4ccccc4C

Chemical ID:

5410627

Name [?]:

2-[[5-(o-tolyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[4-(p-tolyl)thiazol-2-yl]-acetamide

SMILES [?]:

Cc1ccc(cc1)c2csc(n2)NC(=O)CSc3nnc(o3)c4ccccc4C

InChi [?]:

InChI=1/C21H18N4O2S2/c1-13-7-9-15(10-8-13)17-11-28-20(22-17)23-18(26)12-29-21-25-24-19(27-21)16-6-4-3-5-14(16)2/h3-11H,12H2,1-2H3,(H,22,23,26)

InChi Info:

AuxInfo=1/1/N:1,29,26,25,27,24,3,7,4,6,9,16,2,28,5,23,8,14,21,11,18,12,13,20,19,15,22,10,17/E:(7,8)(9,10)/rA:29nCCCCCCCCCSCNNCOCSCNNCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;s10;s8d11;s11;s13;d14;s14;s16;s17;d18;s19;d20;s18s21;s21;s23;d24;s25;d26;d23s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₁₈N₄O₂S₂
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	13.1641
Area:	656.324
Solvation:	-3.24397
Coulombic:	-43.093

Bond Count [?]

All:	32
Single:	21
Double:	11
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	422.525
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	5.83
LogP (Chemaxon):	5.51

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