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Chemical ID: 7098246

Chemical ID:

7098246

Name [?]:

N-[5-(4-ethoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-propyl-cyclopropanecarboxamide

SMILES [?]:

CCCN(c1nnc(s1)c2ccc(cc2)OCC)C(=O)C3CC3

InChi [?]:

InChI=1/C17H21N3O2S/c1-3-11-20(16(21)13-5-6-13)17-19-18-15(23-17)12-7-9-14(10-8-12)22-4-2/h7-10,13H,3-6,11H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,18,2,17,22,23,11,15,12,14,3,10,21,13,8,19,5,7,6,4,20,16,9/E:(5,6)(7,8)(9,10)/rA:23nCCCNCNNCSCCCCCCOCCCOCCC/rB:s1;s2;s3;s4;d5;s6;d7;s5s8;s8;s10;d11;s12;d13;d10s14;s13;s16;s17;s4;d19;s19;s21;s21s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₂₁N₃O₂S
All Atoms:	44
Heavy Atoms:	23
Chiral Atoms:	0

ZAP Information [?]

Total:	10.6541
Area:	554.537
Solvation:	-3.20927
Coulombic:	-29.709

Bond Count [?]

All:	25
Single:	19
Double:	6
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	331.434
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	3.93
LogP (Chemaxon):	2.94

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