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Chemical ID: 7690862
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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