Chemical ID: 6131462

CC(C)CNC(=O)c1cnc2n(c1=O)CCS2
Chemical ID:
6131462
Name [?]:
N-isobutyl-5-oxo-9-thia-2,6-diazabicyclo[4.3.0]nona-1,3-diene-4-carboxamide
SMILES [?]:
CC(C)CNC(=O)c1cnc2n(c1=O)CCS2
InChi [?]:
InChI=1/C11H15N3O2S/c1-7(2)5-12-9(15)8-6-13-11-14(10(8)16)3-4-17-11/h6-7H,3-5H2,1-2H3,(H,12,15)
InChi Info:
AuxInfo=1/1/N:1,3,15,16,4,9,2,8,6,13,11,5,10,12,7,14,17/E:(1,2)/rA:17nCCCCNCOCCNCNCOCCS/rB:s1;s2;s2;s4;s5;d6;s6;d8;s9;d10;s11;s8s12;d13;s12;s15;s11s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H15N3O2S
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:8.60241
Area:425.71
Solvation:-2.04034
Coulombic:-43.9126
Bond Count [?]
All:18
Single:14
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:253.322
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:0.05
LogP (Chemaxon):0.73

Name Annotations

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Descriptor Annotations

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