Chemical ID: 4792592

CC(C)NC(=O)C1CSC2N1C(=O)c3c2cccc3
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

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Descriptor Annotations

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