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Chemical ID: 7686700
Chemical ID:
7686700
Name [?]:
None
SMILES [?]:
CCCN(c1nc(c(s1)C(=O)OCC)C)C(=O)Cc2cccs2
InChi [?]:
InChI=1/C16H20N2O3S2/c1-4-8-18(13(19)10-12-7-6-9-22-12)16-17-11(3)14(23-16)15(20)21-5-2/h6-7,9H,4-5,8,10H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,14,15,2,13,21,20,3,22,18,7,19,16,8,10,5,6,4,17,11,12,23,9/rA:23nCCCNCNCCSCOOCCCCOCCCCCS/rB:s1;s2;s3;s4;d5;s6;d7;s5s8;s8;d10;s10;s12;s13;s7;s4;d16;s16;s18;d19;s20;d21;s19s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H20N2O3S2 |
All Atoms: | 43 |
Heavy Atoms: | 23 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.6036 |
Area: | 572.003 |
Solvation: | -3.69648 |
Coulombic: | -40.971 |
Bond Count [?]
All: | 24 |
Single: | 18 |
Double: | 6 |
Rotors: | 9 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 1.86 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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