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Chemical ID: 5151849

Chemical ID:

5151849

Name [?]:

N-cyclohexyl-2-[[4-methyl-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide

SMILES [?]:

Cc1ccc(cc1)c2nnc(n2C)SCC(=O)NC3CCCCC3

InChi [?]:

InChI=1/C18H24N4OS/c1-13-8-10-14(11-9-13)17-20-21-18(22(17)2)24-12-16(23)19-15-6-4-3-5-7-15/h8-11,15H,3-7,12H2,1-2H3,(H,19,23)

InChi Info:

AuxInfo=1/1/N:1,13,22,21,23,20,24,3,7,4,6,15,2,5,19,16,8,11,18,9,10,12,17,14/E:(4,5)(6,7)(8,9)(10,11)/rA:24nCCCCCCCCNNCNCSCCONCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;d10;s8s11;s12;s11;s14;s15;d16;s16;s18;s19;s20;s21;s22;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₂₄N₄OS
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	11.7576
Area:	571.431
Solvation:	-2.52816
Coulombic:	-34.5967

Bond Count [?]

All:	26
Single:	20
Double:	6
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	344.476
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	5.23
LogP (Chemaxon):	3.19

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value