Chemical ID: 7723599

Cc1ccc(c2c1sc(=NC(=O)C3COc4ccccc4O3)n2C)OC
Chemical ID:
7723599
Name [?]:
None
SMILES [?]:
Cc1ccc(c2c1sc(=NC(=O)C3COc4ccccc4O3)n2C)OC
InChi [?]:
InChI=1/C19H18N2O4S/c1-11-8-9-14(23-3)16-17(11)26-19(21(16)2)20-18(22)15-10-24-12-6-4-5-7-13(12)25-15/h4-9,15H,10H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,24,26,18,19,17,20,3,4,14,2,16,21,5,13,6,7,11,9,10,23,12,25,15,22,8/rA:26cCCCCCCCSCNCOCCOCCCCCCONCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;w9;s10;d11;s11;s13;s14;s15;s16;d17;s18;d19;d16s20;s13s21;s6s9;s23;s5;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H18N2O4S
All Atoms:44
Heavy Atoms:26
Chiral Atoms:None
ZAP Information [?]
Total:9.28168
Area:549.19
Solvation:-4.44806
Coulombic:-48.8557
Bond Count [?]
All:29
Single:21
Double:8
Rotors:3
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.48
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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