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Chemical ID: 7097144

Chemical ID:

7097144

Name [?]:

N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-yl]cyclobutanecarboxamide

SMILES [?]:

COc1cc(cc(c1OC)OC)c2nnc(s2)NC(=O)C3CCC3

InChi [?]:

InChI=1/C16H19N3O4S/c1-21-11-7-10(8-12(22-2)13(11)23-3)15-18-19-16(24-15)17-14(20)9-5-4-6-9/h7-9H,4-6H2,1-3H3,(H,17,19,20)

InChi Info:

AuxInfo=1/1/N:1,12,10,23,22,24,4,6,21,5,3,7,8,19,13,16,18,14,15,20,2,11,9,17/E:(1,2)(5,6)(7,8)(11,12)(21,22)/rA:24nCOCCCCCCOCOCCNNCSNCOCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7;s11;s5;d13;s14;d15;s13s16;s16;s18;d19;s19;s21;s22;s21s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₁₉N₃O₄S
All Atoms:	43
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	6.78611
Area:	559.361
Solvation:	-7.19793
Coulombic:	-45.3044

Bond Count [?]

All:	26
Single:	20
Double:	6
Rotors:	7
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	349.406
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	2.58
LogP (Chemaxon):	1.91

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