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Chemical ID: 4792592
Chemical ID:
4792592
Name [?]:
None
SMILES [?]:
CC(C)NC(=O)C1CSC2N1C(=O)c3c2cccc3
InChi [?]:
InChI=1/C14H16N2O2S/c1-8(2)15-12(17)11-7-19-14-10-6-4-3-5-9(10)13(18)16(11)14/h3-6,8,11,14H,7H2,1-2H3,(H,15,17)
InChi Info:
AuxInfo=1/1/N:1,3,18,17,19,16,8,2,14,15,7,5,12,10,4,11,6,13,9/E:(1,2)/rA:19cCCCNCOCCSCNCOCCCCCC/rB:s1;s2;s2;s4;d5;s5;s7;s8;s9;s7s10;s11;d12;s12;s10s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H16N2O2S |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 8.25166 |
Area: | 451.522 |
Solvation: | -3.0364 |
Coulombic: | -39.7834 |
Bond Count [?]
All: | 21 |
Single: | 16 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 276.355 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.92 |
LogP (Chemaxon): | 1.32 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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