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Chemical ID: 6263524

Chemical ID:

6263524

Name [?]:

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

SMILES [?]:

COc1ccc(cc1OC)c2csc(n2)NC(=O)CCc3ccccc3

InChi [?]:

InChI=1/C20H20N2O3S/c1-24-17-10-9-15(12-18(17)25-2)16-13-26-20(21-16)22-19(23)11-8-14-6-4-3-5-7-14/h3-7,9-10,12-13H,8,11H2,1-2H3,(H,21,22,23)

InChi Info:

AuxInfo=1/1/N:1,10,24,23,25,22,26,20,5,4,19,7,12,21,6,11,3,8,17,14,15,16,18,2,9,13/E:(4,5)(6,7)/rA:26nCOCCCCCCOCCCSCNNCOCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;d11;s12;s13;s11d14;s14;s16;d17;s17;s19;s20;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₀N₂O₃S
All Atoms:	26
Heavy Atoms:	26
Chiral Atoms:	0

ZAP Information [?]

Total:	8.95382
Area:	601.23
Solvation:	-6.07694
Coulombic:	-40.8957

Bond Count [?]

All:	28
Single:	19
Double:	9
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	368.45
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	3.37
LogP (Chemaxon):	4.45

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