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Chemical ID: 6851638

Chemical ID:

6851638

Name [?]:

N-[4-(4-butoxyphenyl)thiazol-2-yl]thiophene-2-carboxamide

SMILES [?]:

CCCCOc1ccc(cc1)c2csc(n2)NC(=O)c3cccs3

InChi [?]:

InChI=1/C18H18N2O2S2/c1-2-3-10-22-14-8-6-13(7-9-14)15-12-24-18(19-15)20-17(21)16-5-4-11-23-16/h4-9,11-12H,2-3,10H2,1H3,(H,19,20,21)

InChi Info:

AuxInfo=1/1/N:1,2,3,22,21,8,10,7,11,4,23,13,9,6,12,20,18,15,16,17,19,5,24,14/E:(6,7)(8,9)/rA:24nCCCCOCCCCCCCCSCNNCOCCCCS/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;d12;s13;s14;s12d15;s15;s17;d18;s18;d20;s21;d22;s20s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₁₈N₂O₂S₂
All Atoms:	42
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	11.5329
Area:	590.73
Solvation:	-3.23538
Coulombic:	-37.1356

Bond Count [?]

All:	26
Single:	18
Double:	8
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	358.48
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	4.12
LogP (Chemaxon):	4.82

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