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Chemical ID: 5438632

Chemical ID:

5438632

Name [?]:

N-[5-[(4-isopropylphenyl)methyl]thiazol-2-yl]benzamide

SMILES [?]:

CC(C)c1ccc(cc1)Cc2cnc(s2)NC(=O)c3ccccc3

InChi [?]:

InChI=1/C20H20N2OS/c1-14(2)16-10-8-15(9-11-16)12-18-13-21-20(24-18)22-19(23)17-6-4-3-5-7-17/h3-11,13-14H,12H2,1-2H3,(H,21,22,23)

InChi Info:

AuxInfo=1/1/N:1,3,22,21,23,20,24,6,8,5,9,10,12,2,7,4,19,11,17,14,13,16,18,15/E:(1,2)(4,5)(6,7)(8,9)(10,11)/rA:24nCCCCCCCCCCCCNCSNCOCCCCCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;d11;s12;d13;s11s14;s14;s16;d17;s17;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₀N₂OS
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	11.3774
Area:	569.232
Solvation:	-2.85336
Coulombic:	-29.5179

Bond Count [?]

All:	26
Single:	17
Double:	9
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	336.452
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	4.35
LogP (Chemaxon):	5.24

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