Chemical ID: 7736114

CCc1ccc(cc1)NC(=O)c2cc(cnc2)NS(=O)(=O)c3ccc(c(c3)OC)OC
Chemical ID:
7736114
Name [?]:
None
SMILES [?]:
CCc1ccc(cc1)NC(=O)c2cc(cnc2)NS(=O)(=O)c3ccc(c(c3)OC)OC
InChi [?]:
InChI=1/C22H23N3O5S/c1-4-15-5-7-17(8-6-15)24-22(26)16-11-18(14-23-13-16)25-31(27,28)19-9-10-20(29-2)21(12-19)30-3/h5-14,25H,4H2,1-3H3,(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,31,29,2,4,8,5,7,23,24,13,27,17,15,3,12,6,14,22,25,26,10,16,9,18,11,20,21,30,28,19/E:(5,6)(7,8)(27,28)/CRV:31.6/rA:31nCCCCCCCCNCOCCCCNCNSOOCCCCCCOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;d13;s14;d15;d12s16;s14;s18;d19;d19;s19;s22;d23;s24;d25;d22s26;s26;s28;s25;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H23N3O5S
All Atoms:54
Heavy Atoms:31
Chiral Atoms:None
ZAP Information [?]
Total:9.71559
Area:655.845
Solvation:-6.68052
Coulombic:-50.9926
Bond Count [?]
All:33
Single:21
Double:12
Rotors:9
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:2.9
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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