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Chemical ID: 3933662

Chemical ID:

3933662

Name [?]:

N-(4-acetylphenyl)-2-[(5-isopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

SMILES [?]:

CC(C)c1nnc(n1C)SCC(=O)Nc2ccc(cc2)C(=O)C

InChi [?]:

InChI=1/C16H20N4O2S/c1-10(2)15-18-19-16(20(15)4)23-9-14(22)17-13-7-5-12(6-8-13)11(3)21/h5-8,10H,9H2,1-4H3,(H,17,22)

InChi Info:

AuxInfo=1/1/N:1,3,23,9,17,19,16,20,11,2,21,18,15,12,4,7,14,5,6,8,22,13,10/E:(1,2)(5,6)(7,8)/rA:23nCCCCNNCNCSCCONCCCCCCCOC/rB:s1;s2;s2;d4;s5;d6;s4s7;s8;s7;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s18;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₂₀N₄O₂S
All Atoms:	23
Heavy Atoms:	23
Chiral Atoms:	0

ZAP Information [?]

Total:	10.1899
Area:	563.079
Solvation:	-3.88708
Coulombic:	-38.763

Bond Count [?]

All:	24
Single:	17
Double:	7
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	332.422
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	3.2
LogP (Chemaxon):	1.79

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