Chemical ID: 6571016

CC(C)NC(=O)c1cc2c(s1)CCC2
Chemical ID:
6571016
Name [?]:
N-isopropyl-6-thiabicyclo[3.3.0]octa-7,9-diene-7-carboxamide
SMILES [?]:
CC(C)NC(=O)c1cc2c(s1)CCC2
InChi [?]:
InChI=1/C11H15NOS/c1-7(2)12-11(13)10-6-8-4-3-5-9(8)14-10/h6-7H,3-5H2,1-2H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,3,13,14,12,8,2,9,10,7,5,4,6,11/E:(1,2)/rA:14nCCCNCOCCCCSCCC/rB:s1;s2;s2;s4;d5;s5;d7;s8;d9;s7s10;s10;s12;s9s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H15NOS
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:8.58842
Area:389.268
Solvation:-1.14329
Coulombic:-23.1624
Bond Count [?]
All:15
Single:12
Double:3
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:209.309
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:1.14
LogP (Chemaxon):1.54

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Descriptor Annotations

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