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87951-97-1 | 1-Thia-4,8-diazaspiro[4.5]decane-3-carboxylic acid, 8-benzoyl-, (R)-
CAS No: 87951-97-1 Catalog No: AG004GAD MDL No:
Product Description
Catalog Number:
AG004GAD
Chemical Name:
1-Thia-4,8-diazaspiro[4.5]decane-3-carboxylic acid, 8-benzoyl-, (R)-
CAS Number:
87951-97-1
Molecular Formula:
C15H18N2O3S
Molecular Weight:
306.3800
IUPAC Name:
(3R)-8-benzoyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxylic acid
InChI:
InChI=1S/C15H18N2O3S/c18-13(11-4-2-1-3-5-11)17-8-6-15(7-9-17)16-12(10-21-15)14(19)20/h1-5,12,16H,6-10H2,(H,19,20)/t12-/m0/s1
InChI Key:
GVWACQSNHOVIKR-LBPRGKRZSA-N
SMILES:
O=C(c1ccccc1)N1CCC2(CC1)SC[C@H](N2)C(=O)O
Properties
Complexity:
415
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
306.104g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
306.38g/mol
Monoisotopic Mass:
306.104g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
94.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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