Chemical ID: 7156972

Cc1c(cn(n1)C)C(=O)Nc2c(c3c(s2)CCC3)C(=O)N
Chemical ID:
7156972
Name [?]:
N-(8-carbamoyl-6-thiabicyclo[3.3.0]octa-7,9-dien-7-yl)-1,3-dimethyl-pyrazole-4-carboxamide
SMILES [?]:
Cc1c(cn(n1)C)C(=O)Nc2c(c3c(s2)CCC3)C(=O)N
InChi [?]:
InChI=1/C14H16N4O2S/c1-7-9(6-18(2)17-7)13(20)16-14-11(12(15)19)8-4-3-5-10(8)21-14/h6H,3-5H2,1-2H3,(H2,15,19)(H,16,20)
InChi Info:
AuxInfo=1/1/N:1,7,17,18,16,4,2,13,3,14,12,19,8,11,21,10,6,5,20,9,15/rA:21nCCCCNNCCONCCCCSCCCCON/rB:s1;s2;d3;s4;d2s5;s5;s3;d8;s8;s10;d11;s12;d13;s11s14;s14;s16;s13s17;s12;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H16N4O2S
All Atoms:37
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.63958
Area:491.782
Solvation:-3.65498
Coulombic:-49.1128
Bond Count [?]
All:23
Single:17
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:304.369
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:0.1
LogP (Chemaxon):0.87

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