Chemical ID: 5595121

CCOC(=O)Cc1csc(n1)SCc2cc(=O)oc3c2ccc(c3)O
Chemical ID:
5595121
Name [?]:
ethyl 2-[2-[(7-hydroxy-2-oxo-chromen-4-yl)methylsulfanyl]thiazol-4-yl]acetate
SMILES [?]:
CCOC(=O)Cc1csc(n1)SCc2cc(=O)oc3c2ccc(c3)O
InChi [?]:
InChI=1/C17H15NO5S2/c1-2-22-15(20)6-11-9-25-17(18-11)24-8-10-5-16(21)23-14-7-12(19)3-4-13(10)14/h3-5,7,9,19H,2,6,8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,22,21,15,6,24,13,8,14,7,23,20,19,4,16,10,11,25,5,17,3,18,12,9/rA:25nCCOCOCCCSCNSCCCCOOCCCCCCO/rB:s1;s2;s3;d4;s4;s6;d7;s8;s9;s7d10;s10;s12;s13;d14;s15;d16;s16;s18;s14s19;d20;s21;d22;d19s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H15NO5S2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.34745
Area:589.397
Solvation:-5.38748
Coulombic:-56.8835
Bond Count [?]
All:27
Single:19
Double:8
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:377.437
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.17
LogP (Chemaxon):3.82

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Descriptor Annotations

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