Chemical ID: 6949405

CC(C)(C)C(=O)Nc1c(c2c(s1)CCC2)C(=O)N
Chemical ID:
6949405
Name [?]:
7-(2,2-dimethylpropanoylamino)-6-thiabicyclo[3.3.0]octa-7,9-diene-8-carboxamide
SMILES [?]:
CC(C)(C)C(=O)Nc1c(c2c(s1)CCC2)C(=O)N
InChi [?]:
InChI=1/C13H18N2O2S/c1-13(2,3)12(17)15-11-9(10(14)16)7-5-4-6-8(7)18-11/h4-6H2,1-3H3,(H2,14,16)(H,15,17)
InChi Info:
AuxInfo=1/1/N:1,3,4,14,15,13,10,11,9,16,8,5,2,18,7,17,6,12/E:(1,2,3)/rA:18nCCCCCONCCCCSCCCCON/rB:s1;s2;s2;s2;d5;s5;s7;d8;s9;d10;s8s11;s11;s13;s10s14;s9;d16;s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H18N2O2S
All Atoms:36
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:8.47985
Area:447.117
Solvation:-2.69807
Coulombic:-46.0586
Bond Count [?]
All:19
Single:15
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:266.36
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:0.49
LogP (Chemaxon):2.55

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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