Chemical ID: 7318837

CCOC(=O)Cc1csc(n1)SC(C)C(=O)Nc2ccccc2
Chemical ID:
7318837
Name [?]:
ethyl 2-[2-[1-(phenylcarbamoyl)ethylsulfanyl]thiazol-4-yl]acetate
SMILES [?]:
CCOC(=O)Cc1csc(n1)SC(C)C(=O)Nc2ccccc2
InChi [?]:
InChI=1/C16H18N2O3S2/c1-3-21-14(19)9-13-10-22-16(18-13)23-11(2)15(20)17-12-7-5-4-6-8-12/h4-8,10-11H,3,9H2,1-2H3,(H,17,20)
InChi Info:
AuxInfo=1/1/N:1,14,2,21,20,22,19,23,6,8,13,18,7,4,15,10,17,11,5,16,3,9,12/E:(5,6)(7,8)/rA:23cCCOCOCCCSCNSCCCONCCCCCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;s9;s7d10;s10;s12;s13;s13;d15;s15;s17;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H18N2O3S2
All Atoms:41
Heavy Atoms:23
Chiral Atoms:1
ZAP Information [?]
Total:9.85511
Area:571.356
Solvation:-4.4288
Coulombic:-43.8034
Bond Count [?]
All:24
Single:17
Double:7
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:350.458
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.23
LogP (Chemaxon):3.66

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Descriptor Annotations

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