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81702-43-4 | 1H-3-Benzazepine-7,8-diol, 2,3,4,5-tetrahydro-1-phenyl-, (S)-
CAS No: 81702-43-4 Catalog No: AG0057TM MDL No:
Product Description
Catalog Number:
AG0057TM
Chemical Name:
1H-3-Benzazepine-7,8-diol, 2,3,4,5-tetrahydro-1-phenyl-, (S)-
CAS Number:
81702-43-4
Molecular Formula:
C16H17NO2
Molecular Weight:
255.3117
IUPAC Name:
(5S)-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol
InChI:
InChI=1S/C16H17NO2/c18-15-8-12-6-7-17-10-14(13(12)9-16(15)19)11-4-2-1-3-5-11/h1-5,8-9,14,17-19H,6-7,10H2/t14-/m0/s1
InChI Key:
JUDKOGFHZYMDMF-AWEZNQCLSA-N
SMILES:
Oc1cc2CCNC[C@H](c2cc1O)c1ccccc1
UNII:
G5IHG5BM57
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
255.126g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
255.317g/mol
Monoisotopic Mass:
255.126g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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