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Chemical ID: 7686406
Chemical ID:
7686406
Name [?]:
None
SMILES [?]:
CCOC(=O)c1c(nc(s1)N(C(C)C)C(=O)C2CC2)C
InChi [?]:
InChI=1/C14H20N2O3S/c1-5-19-13(18)11-9(4)15-14(20-11)16(8(2)3)12(17)10-6-7-10/h8,10H,5-7H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,13,14,20,2,18,19,12,7,17,6,15,4,9,8,11,16,5,3,10/E:(2,3)(6,7)/rA:20nCCOCOCCNCSNCCCCOCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s6s9;s9;s11;s12;s12;s11;d15;s15;s17;s17s18;s7;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H20N2O3S |
All Atoms: | 40 |
Heavy Atoms: | 20 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.4076 |
Area: | 494.016 |
Solvation: | -2.9428 |
Coulombic: | -40.5777 |
Bond Count [?]
All: | 21 |
Single: | 17 |
Double: | 4 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 1.58 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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