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Chemical ID: 5940480

Cc1ccc(cc1Nc2nc(cs2)c3cccc(c3)NC(=O)C(c4ccccc4)c5ccccc5)Cl

Chemical ID:

5940480

Name [?]:

N-[3-[2-(5-chloro-2-methyl-phenyl)aminothiazol-4-yl]phenyl]-2,2-diphenyl-acetamide

SMILES [?]:

Cc1ccc(cc1Nc2nc(cs2)c3cccc(c3)NC(=O)C(c4ccccc4)c5ccccc5)Cl

InChi [?]:

InChI=1/C30H24ClN3OS/c1-20-15-16-24(31)18-26(20)33-30-34-27(19-36-30)23-13-8-14-25(17-23)32-29(35)28(21-9-4-2-5-10-21)22-11-6-3-7-12-22/h2-19,28H,1H3,(H,32,35)(H,33,34)

InChi Info:

AuxInfo=1/1/N:1,27,33,26,28,32,34,16,25,29,31,35,15,17,3,4,19,6,12,2,24,30,14,5,18,7,11,23,21,9,36,20,8,10,22,13/E:(2,3)(4,5,6,7)(9,10,11,12)(21,22)/rA:36nCCCCCCCNCNCCSCCCCCCNCOCCCCCCCCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s10;d11;s9s12;s11;s14;d15;s16;d17;d14s18;s18;s20;d21;s21;s23;s24;d25;s26;d27;d24s28;s23;s30;d31;s32;d33;d30s34;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₃₀H₂₄ClN₃OS
All Atoms:	36
Heavy Atoms:	36
Chiral Atoms:	0

ZAP Information [?]

Total:	15.5647
Area:	760.494
Solvation:	-3.44765
Coulombic:	-43.0052

Bond Count [?]

All:	40
Single:	25
Double:	15
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	510.05
H-Bond Donors:	2
H-Bond Acceptors:	3
XLogP:	7.37
LogP (Chemaxon):	8.58

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