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Chemical ID: 7293417

Chemical ID:

7293417

Name [?]:

3-(3,4-dimethoxyphenyl)-N-(4-phenylthiazol-2-yl)-propanamide

SMILES [?]:

COc1ccc(cc1OC)CCC(=O)Nc2nc(cs2)c3ccccc3

InChi [?]:

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

InChi Info:

AuxInfo=1/1/N:1,10,24,23,25,22,26,5,11,4,12,7,19,6,21,18,3,8,13,16,17,15,14,2,9,20/E:(4,5)(6,7)/rA:26nCOCCCCCCOCCCCONCNCCSCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;s12;d13;s13;s15;d16;s17;d18;s16s19;s18;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₀N₂O₃S
All Atoms:	46
Heavy Atoms:	26
Chiral Atoms:	0

ZAP Information [?]

Total:	8.84903
Area:	600.477
Solvation:	-6.16289
Coulombic:	-41.0343

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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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value