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Chemical ID: 4152449

Chemical ID:

4152449

Name [?]:

3-(2-chlorophenyl)-N-[4-(p-tolyl)thiazol-2-yl]-prop-2-enamide

SMILES [?]:

Cc1ccc(cc1)c2csc(n2)NC(=O)C=Cc3ccccc3Cl

InChi [?]:

InChI=1/C19H15ClN2OS/c1-13-6-8-15(9-7-13)17-12-24-19(21-17)22-18(23)11-10-14-4-2-3-5-16(14)20/h2-12H,1H3,(H,21,22,23)

InChi Info:

AuxInfo=1/1/N:1,20,21,19,22,3,7,4,6,17,16,9,2,18,5,23,8,14,11,24,12,13,15,10/E:(6,7)(8,9)/rA:24nCCCCCCCCCSCNNCOCCCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;s10;s8d11;s11;s13;d14;s14;w16;s17;s18;d19;s20;d21;d18s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₁₅ClN₂OS
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	11.1783
Area:	551.097
Solvation:	-2.59917
Coulombic:	-29.7984

Bond Count [?]

All:	26
Single:	16
Double:	10
Rotors:	5
Chiral:	1
Rigid Segments:	5

Chemical Properties

Molecular Weight:	354.854
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	5.16
LogP (Chemaxon):	6.02

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