Chemical ID: 6420168

c1cc(sc1)C(=O)CCN2CC3CCC(C2)CC3
Chemical ID:
6420168
Name [?]:
3-(3-azabicyclo[3.2.2]non-3-yl)-1-(2-thienyl)propan-1-one
SMILES [?]:
c1cc(sc1)C(=O)CCN2CC3CCC(C2)CC3
InChi [?]:
InChI=1/C15H21NOS/c17-14(15-2-1-9-18-15)7-8-16-10-12-3-4-13(11-16)6-5-12/h1-2,9,12-13H,3-8,10-11H2
InChi Info:
AuxInfo=1/0/N:1,2,13,14,18,17,8,9,5,11,16,12,15,6,3,10,7,4/E:(3,4,5,6)(10,11)(12,13)/rA:18nCCCSCCOCCNCCCCCCCC/rB:s1;d2;s3;d1s4;s3;d6;s6;s8;s9;s10;s11;s12;s13;s14;s10s15;s15;s12s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H21NOS
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:9.17109
Area:440.877
Solvation:-1.85083
Coulombic:-14.2116
Bond Count [?]
All:20
Single:17
Double:3
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:263.399
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.05
LogP (Chemaxon):2.24

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