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Chemical ID: 3856001

Chemical ID:

3856001

Name [?]:

N-(2-methoxyethyl)-N-[4-(4-methoxyphenyl)thiazol-2-yl]-propanamide

SMILES [?]:

CCC(=O)N(CCOC)c1nc(cs1)c2ccc(cc2)OC

InChi [?]:

InChI=1/C16H20N2O3S/c1-4-15(19)18(9-10-20-2)16-17-14(11-22-16)12-5-7-13(21-3)8-6-12/h5-8,11H,4,9-10H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,9,22,2,16,20,17,19,6,7,13,15,18,12,3,10,11,5,4,8,21,14/E:(5,6)(7,8)/rA:22nCCCONCCOCCNCCSCCCCCCOC/rB:s1;s2;d3;s3;s5;s6;s7;s8;s5;d10;s11;d12;s10s13;s12;s15;d16;s17;d18;d15s19;s18;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₂₀N₂O₃S
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	8.31472
Area:	517.177
Solvation:	-4.61471
Coulombic:	-37.2101

Bond Count [?]

All:	23
Single:	17
Double:	6
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	320.408
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	2.23
LogP (Chemaxon):	2.7

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