Chemical ID: 7723443

Cc1cc(c2c(c1)n(c(=NC(=O)c3cc(c(c(c3)OC)OC)OC)s2)C)C
Chemical ID:
7723443
Name [?]:
None
SMILES [?]:
Cc1cc(c2c(c1)n(c(=NC(=O)c3cc(c(c(c3)OC)OC)OC)s2)C)C
InChi [?]:
InChI=1/C20H22N2O4S/c1-11-7-12(2)18-14(8-11)22(3)20(27-18)21-19(23)13-9-15(24-4)17(26-6)16(10-13)25-5/h7-10H,1-6H3
InChi Info:
AuxInfo=1/0/N:1,27,26,20,24,22,3,7,18,14,2,4,13,6,17,15,16,5,11,9,10,8,12,19,23,21,25/E:(4,5)(9,10)(15,16)(24,25)/rA:27nCCCCCCCNCNCOCCCCCCOCOCOCSCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;w9;s10;d11;s11;s13;d14;s15;d16;d13s17;s17;s19;s16;s21;s15;s23;s5s9;s8;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H22N2O4S
All Atoms:49
Heavy Atoms:27
Chiral Atoms:None
ZAP Information [?]
Total:8.6146
Area:589.949
Solvation:-6.13412
Coulombic:-45.0781
Bond Count [?]
All:29
Single:21
Double:8
Rotors:5
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.85
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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