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Chemical ID: 7356776

Chemical ID:

7356776

Name [?]:

N-(5-benzylthiazol-2-yl)-2-chloro-2-phenyl-acetamide

SMILES [?]:

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

InChi [?]:

InChI=1/C18H15ClN2OS/c19-16(14-9-5-2-6-10-14)17(22)21-18-20-12-15(23-18)11-13-7-3-1-4-8-13/h1-10,12,16H,11H2,(H,20,21,22)

InChi Info:

AuxInfo=1/1/N:1,20,2,6,19,21,3,5,18,22,7,9,4,17,8,16,14,11,23,10,13,15,12/E:(3,4)(5,6)(7,8)(9,10)/rA:23cCCCCCCCCCNCSNCOCCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;s8s11;s11;s13;d14;s14;s16;s17;d18;s19;d20;d17s21;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₁₅ClN₂OS
All Atoms:	38
Heavy Atoms:	23
Chiral Atoms:	1

ZAP Information [?]

Total:	10.4359
Area:	555.288
Solvation:	-3.44633
Coulombic:	-28.9222

Bond Count [?]

All:	25
Single:	16
Double:	9
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	342.843
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	2.96
LogP (Chemaxon):	4.88

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value