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Chemical ID: 4774061

Chemical ID:

4774061

Name [?]:

ethyl 2-[2-[2-(4-chlorophenyl)sulfanylacetyl]aminothiazol-4-yl]acetate

SMILES [?]:

CCOC(=O)Cc1csc(n1)NC(=O)CSc2ccc(cc2)Cl

InChi [?]:

InChI=1/C15H15ClN2O3S2/c1-2-21-14(20)7-11-8-23-15(17-11)18-13(19)9-22-12-5-3-10(16)4-6-12/h3-6,8H,2,7,9H2,1H3,(H,17,18,19)

InChi Info:

AuxInfo=1/1/N:1,2,19,21,18,22,6,8,15,20,7,17,13,4,10,23,11,12,14,5,3,16,9/E:(3,4)(5,6)/rA:23nCCOCOCCCSCNNCOCSCCCCCCCl/rB:s1;s2;s3;d4;s4;s6;d7;s8;s9;s7d10;s10;s12;d13;s13;s15;s16;s17;d18;s19;d20;d17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₁₅ClN₂O₃S₂
All Atoms:	23
Heavy Atoms:	23
Chiral Atoms:	0

ZAP Information [?]

Total:	10.0428
Area:	592.308
Solvation:	-4.76491
Coulombic:	-43.2406

Bond Count [?]

All:	24
Single:	17
Double:	7
Rotors:	9
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	370.876
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	2.93
LogP (Chemaxon):	3.64

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