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Chemical ID: 5410121

Chemical ID:

5410121

Name [?]:

N-(5-chloro-2-methyl-phenyl)-2-(4-phenylthiazol-2-yl)sulfanyl-acetamide

SMILES [?]:

Cc1ccc(cc1NC(=O)CSc2nc(cs2)c3ccccc3)Cl

InChi [?]:

InChI=1/C18H15ClN2OS2/c1-12-7-8-14(19)9-15(12)20-17(22)11-24-18-21-16(10-23-18)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,20,22)

InChi Info:

AuxInfo=1/1/N:1,21,20,22,19,23,3,4,6,16,11,2,18,5,7,15,9,13,24,8,14,10,17,12/E:(3,4)(5,6)/rA:24nCCCCCCCNCOCSCNCCSCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;d13;s14;d15;s13s16;s15;s18;d19;s20;d21;d18s22;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₁₅ClN₂OS₂
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	11.7388
Area:	588.369
Solvation:	-2.97048
Coulombic:	-28.5031

Bond Count [?]

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

Chemical Properties

Molecular Weight:	374.909
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	4.55
LogP (Chemaxon):	5.14

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