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Chemical ID: 3855882

Chemical ID:

3855882

Name [?]:

N-ethyl-N-[4-(4-methoxyphenyl)thiazol-2-yl]-cyclopropanecarboxamide

SMILES [?]:

CCN(c1nc(cs1)c2ccc(cc2)OC)C(=O)C3CC3

InChi [?]:

InChI=1/C16H18N2O2S/c1-3-18(15(19)12-4-5-12)16-17-14(10-21-16)11-6-8-13(20-2)9-7-11/h6-10,12H,3-5H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,16,2,20,21,10,14,11,13,7,9,19,12,6,17,4,5,3,18,15,8/E:(4,5)(6,7)(8,9)/rA:21nCCNCNCCSCCCCCCOCCOCCC/rB:s1;s2;s3;d4;s5;d6;s4s7;s6;s9;d10;s11;d12;d9s13;s12;s15;s3;d17;s17;s19;s19s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₁₈N₂O₂S
All Atoms:	21
Heavy Atoms:	21
Chiral Atoms:	0

ZAP Information [?]

Total:	8.81908
Area:	499.862
Solvation:	-3.67748
Coulombic:	-29.4946

Bond Count [?]

All:	23
Single:	17
Double:	6
Rotors:	6
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	302.392
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	2.8
LogP (Chemaxon):	3.26

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