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147406-85-7 | Cyclopenta[4,5]pyrrolo[2,1-c][1,4]oxazin-1(5aH)-one, octahydro-4-phenyl-, (4S,5aR,8aR,9aS)-
CAS No: 147406-85-7 Catalog No: AG001EVM MDL No:
Product Description
Catalog Number:
AG001EVM
Chemical Name:
Cyclopenta[4,5]pyrrolo[2,1-c][1,4]oxazin-1(5aH)-one, octahydro-4-phenyl-, (4S,5aR,8aR,9aS)-
CAS Number:
147406-85-7
Molecular Formula:
C16H19NO2
Molecular Weight:
257.3276
IUPAC Name:
(2R,6R,8R,12S)-12-phenyl-10-oxa-1-azatricyclo[6.4.0.02,6]dodecan-9-one
InChI:
InChI=1S/C16H19NO2/c18-16-14-9-12-7-4-8-13(12)17(14)15(10-19-16)11-5-2-1-3-6-11/h1-3,5-6,12-15H,4,7-10H2/t12-,13-,14-,15-/m1/s1
InChI Key:
XDYUWXJPBSIHKT-KBUPBQIOSA-N
SMILES:
O=C1OC[C@@H](N2[C@H]1C[C@@H]1[C@H]2CCC1)c1ccccc1
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
257.142g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.333g/mol
Monoisotopic Mass:
257.142g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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