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Chemical ID: 4484233

Chemical ID:

4484233

Name [?]:

N-[4-(4-methoxyphenyl)thiazol-2-yl]-3-phenyl-propanamide

SMILES [?]:

COc1ccc(cc1)c2csc(n2)NC(=O)CCc3ccccc3

InChi [?]:

InChI=1/C19H18N2O2S/c1-23-16-10-8-15(9-11-16)17-13-24-19(20-17)21-18(22)12-7-14-5-3-2-4-6-14/h2-6,8-11,13H,7,12H2,1H3,(H,20,21,22)

InChi Info:

AuxInfo=1/1/N:1,22,21,23,20,24,18,5,7,4,8,17,10,19,6,3,9,15,12,13,14,16,2,11/E:(3,4)(5,6)(8,9)(10,11)/rA:24nCOCCCCCCCCSCNNCOCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s10;s11;s9d12;s12;s14;d15;s15;s17;s18;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₁₈N₂O₂S
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	10.2389
Area:	567.059
Solvation:	-3.93757
Coulombic:	-34.7909

Bond Count [?]

All:	26
Single:	17
Double:	9
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	338.424
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	3.72
LogP (Chemaxon):	4.7

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value