Chemical ID: 7332774

Cc1c(sc2c1c(=O)n(c(=S)[nH]2)CC(C)C)C
Chemical ID:
7332774
Name [?]:
4-isobutyl-7,8-dimethyl-3-thioxo-9-thia-2,4-diazabicyclo[4.3.0]nona-7,10-dien-5-one
SMILES [?]:
Cc1c(sc2c1c(=O)n(c(=S)[nH]2)CC(C)C)C
InChi [?]:
InChI=1/C12H16N2OS2/c1-6(2)5-14-11(15)9-7(3)8(4)17-10(9)13-12(14)16/h6H,5H2,1-4H3,(H,13,16)
InChi Info:
AuxInfo=1/1/N:15,16,1,17,13,14,2,3,6,5,7,10,12,9,8,11,4/E:(1,2)/rA:17nCCCSCCCONCSNCCCCC/rB:s1;d2;s3;s4;s2d5;s6;d7;s7;s9;d10;s5s10;s9;s13;s14;s14;s3;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H16N2OS2
All Atoms:33
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:9.59382
Area:424.794
Solvation:-1.02604
Coulombic:-30.6588
Bond Count [?]
All:18
Single:14
Double:4
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:268.4
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:1.94
LogP (Chemaxon):3.66

Name Annotations

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Descriptor Annotations

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