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Chemical ID: 7318292

Chemical ID:

7318292

Name [?]:

ethyl 2-[2-(phenylcarbamoylmethylsulfanyl)thiazol-4-yl]acetate

SMILES [?]:

CCOC(=O)Cc1csc(n1)SCC(=O)Nc2ccccc2

InChi [?]:

InChI=1/C15H16N2O3S2/c1-2-20-14(19)8-12-9-21-15(17-12)22-10-13(18)16-11-6-4-3-5-7-11/h3-7,9H,2,8,10H2,1H3,(H,16,18)

InChi Info:

AuxInfo=1/1/N:1,2,20,19,21,18,22,6,8,13,17,7,14,4,10,16,11,15,5,3,9,12/E:(4,5)(6,7)/rA:22nCCOCOCCCSCNSCCONCCCCCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;s9;s7d10;s10;s12;s13;d14;s14;s16;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₁₆N₂O₃S₂
All Atoms:	38
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	9.36273
Area:	559.183
Solvation:	-4.61685
Coulombic:	-42.9221

Bond Count [?]

All:	23
Single:	16
Double:	7
Rotors:	9
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	336.431
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	1.94
LogP (Chemaxon):	3.13

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