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147299-15-8 | Pyrrolidine, 1-(1-benzo[b]thien-2-ylcyclohexyl)-
CAS No: 147299-15-8 Catalog No: AG001ES5 MDL No:
Product Description
Catalog Number:
AG001ES5
Chemical Name:
Pyrrolidine, 1-(1-benzo[b]thien-2-ylcyclohexyl)-
CAS Number:
147299-15-8
Molecular Formula:
C18H23NS
Molecular Weight:
285.4469
IUPAC Name:
1-[1-(1-benzothiophen-2-yl)cyclohexyl]pyrrolidine
InChI:
InChI=1S/C18H23NS/c1-4-10-18(11-5-1,19-12-6-7-13-19)17-14-15-8-2-3-9-16(15)20-17/h2-3,8-9,14H,1,4-7,10-13H2
InChI Key:
NDVZYCXZMVQYBS-UHFFFAOYSA-N
SMILES:
C1CCC(CC1)(N1CCCC1)c1cc2c(s1)cccc2
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.155g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.449g/mol
Monoisotopic Mass:
285.155g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
31.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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