Chemical ID: 6228738

CC(C)N(C(C)C)C(=O)c1cnc2n(c1=O)CCS2
Chemical ID:
6228738
Name [?]:
N,N-diisopropyl-5-oxo-9-thia-2,6-diazabicyclo[4.3.0]nona-1,3-diene-4-carboxamide
SMILES [?]:
CC(C)N(C(C)C)C(=O)c1cnc2n(c1=O)CCS2
InChi [?]:
InChI=1/C13H19N3O2S/c1-8(2)16(9(3)4)12(18)10-7-14-13-15(11(10)17)5-6-19-13/h7-9H,5-6H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,6,7,17,18,11,2,5,10,15,8,13,12,14,4,16,9,19/E:(1,2,3,4)(8,9)/rA:19nCCCNCCCCOCCNCNCOCCS/rB:s1;s2;s2;s4;s5;s5;s4;d8;s8;d10;s11;d12;s13;s10s14;d15;s14;s17;s13s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H19N3O2S
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.35925
Area:444.547
Solvation:-2.75442
Coulombic:-38.2813
Bond Count [?]
All:20
Single:16
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:281.375
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:0.88
LogP (Chemaxon):1.28

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Descriptor Annotations

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