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Chemical ID: 5384371

c1ccc(cc1)c2ccc(cc2)NC(=O)CSc3nc(cs3)c4ccc(cc4)Cl

Chemical ID:

5384371

Name [?]:

2-[4-(4-chlorophenyl)thiazol-2-yl]sulfanyl-N-(4-phenylphenyl)-acetamide

SMILES [?]:

c1ccc(cc1)c2ccc(cc2)NC(=O)CSc3nc(cs3)c4ccc(cc4)Cl

InChi [?]:

InChI=1/C23H17ClN2OS2/c24-19-10-6-18(7-11-19)21-14-28-23(26-21)29-15-22(27)25-20-12-8-17(9-13-20)16-4-2-1-3-5-16/h1-14H,15H2,(H,25,27)

InChi Info:

AuxInfo=1/1/N:1,2,6,3,5,24,28,8,12,25,27,9,11,21,16,4,7,23,26,10,20,14,18,29,13,19,15,22,17/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:29nCCCCCCCCCCCCNCOCSCNCCSCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;d7s11;s10;s13;d14;s14;s16;s17;d18;s19;d20;s18s21;s20;s23;d24;s25;d26;d23s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₁₇ClN₂OS₂
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	13.5676
Area:	679.966
Solvation:	-3.43156
Coulombic:	-29.9093

Bond Count [?]

All:	32
Single:	20
Double:	12
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	436.979
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	6.27
LogP (Chemaxon):	7.01

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

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value