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Chemical ID: 5327426

Cc1ccc(cc1)c2csc(n2)NC(=O)CSc3nnc(o3)c4ccc(cc4)OC

Chemical ID:

5327426

Name [?]:

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

SMILES [?]:

Cc1ccc(cc1)c2csc(n2)NC(=O)CSc3nnc(o3)c4ccc(cc4)OC

InChi [?]:

InChI=1/C21H18N4O3S2/c1-13-3-5-14(6-4-13)17-11-29-20(22-17)23-18(26)12-30-21-25-24-19(28-21)15-7-9-16(27-2)10-8-15/h3-11H,12H2,1-2H3,(H,22,23,26)

InChi Info:

AuxInfo=1/1/N:1,30,3,7,4,6,24,28,25,27,9,16,2,5,23,26,8,14,21,11,18,12,13,20,19,15,29,22,10,17/E:(3,4)(5,6)(7,8)(9,10)/rA:30nCCCCCCCCCSCNNCOCSCNNCOCCCCCCOC/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;s26;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₁₈N₄O₃S₂
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	12.3468
Area:	682.032
Solvation:	-4.70398
Coulombic:	-49.1328

Bond Count [?]

All:	33
Single:	22
Double:	11
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	438.525
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	5.3
LogP (Chemaxon):	4.79

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