Chemical ID: 7690862

CCN(CC)C(=O)c1cc(n(n1)C)C(=O)Nc2c(cc(s2)C)C(=O)OC
Chemical ID:
7690862
Name [?]:
None
SMILES [?]:
CCN(CC)C(=O)c1cc(n(n1)C)C(=O)Nc2c(cc(s2)C)C(=O)OC
InChi [?]:
InChI=1/C17H22N4O4S/c1-6-21(7-2)16(23)12-9-13(20(4)19-12)14(22)18-15-11(17(24)25-5)8-10(3)26-15/h8-9H,6-7H2,1-5H3,(H,18,22)
InChi Info:
AuxInfo=1/1/N:1,5,22,13,26,2,4,19,9,20,18,8,10,14,17,6,23,16,12,11,3,15,7,24,25,21/E:(1,2)(6,7)/rA:26nCCNCCCOCCCNNCCONCCCCSCCOOC/rB:s1;s2;s3;s4;s3;d6;s6;s8;d9;s10;d8s11;s11;s10;d14;s14;s16;d17;s18;d19;s17s20;s20;s18;d23;s23;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H22N4O4S
All Atoms:48
Heavy Atoms:26
Chiral Atoms:None
ZAP Information [?]
Total:11.3689
Area:593.258
Solvation:-3.46259
Coulombic:-63.6548
Bond Count [?]
All:27
Single:20
Double:7
Rotors:9
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:1.46
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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