Chemical ID: 7678988

Cc1ccc(cc1C)OCC(=O)Nc2nc(cs2)c3ccc(c(c3)OC)OC
Chemical ID:
7678988
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1C)OCC(=O)Nc2nc(cs2)c3ccc(c(c3)OC)OC
InChi [?]:
InChI=1/C21H22N2O4S/c1-13-5-7-16(9-14(13)2)27-11-20(24)23-21-22-17(12-28-21)15-6-8-18(25-3)19(10-15)26-4/h5-10,12H,11H2,1-4H3,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,8,28,26,3,20,4,21,6,24,10,17,2,7,19,5,16,22,23,11,14,15,13,12,27,25,9,18/rA:28nCCCCCCCCOCCONCNCCSCCCCCCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;s10;d11;s11;s13;d14;s15;d16;s14s17;s16;s19;d20;s21;d22;d19s23;s23;s25;s22;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H22N2O4S
All Atoms:50
Heavy Atoms:28
Chiral Atoms:None
ZAP Information [?]
Total:7.86259
Area:633.916
Solvation:-7.98532
Coulombic:-47.3476
Bond Count [?]
All:30
Single:21
Double:9
Rotors:8
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.95
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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