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337308-63-1 | (S)-2-(((4R,5R)-1,3-Dimethyl-4,5-diphenylimidazolidin-2-ylidene)amino)-3-phenylpropan-1-ol
CAS No: 337308-63-1 Catalog No: AG003BWX MDL No:MFCD06797085
Product Description
Catalog Number:
AG003BWX
Chemical Name:
(S)-2-(((4R,5R)-1,3-Dimethyl-4,5-diphenylimidazolidin-2-ylidene)amino)-3-phenylpropan-1-ol
CAS Number:
337308-63-1
Molecular Formula:
C26H29N3O
Molecular Weight:
399.5280
MDL Number:
MFCD06797085
IUPAC Name:
(2S)-2-[[(4R,5R)-1,3-dimethyl-4,5-diphenylimidazolidin-2-ylidene]amino]-3-phenylpropan-1-ol
InChI:
InChI=1S/C26H29N3O/c1-28-24(21-14-8-4-9-15-21)25(22-16-10-5-11-17-22)29(2)26(28)27-23(19-30)18-20-12-6-3-7-13-20/h3-17,23-25,30H,18-19H2,1-2H3/t23-,24+,25+/m0/s1
InChI Key:
RAFFEHDNCQXIQG-ISJGIBHGSA-N
SMILES:
OC[C@@H](N=C1N(C)[C@@H]([C@H](N1C)c1ccccc1)c1ccccc1)Cc1ccccc1
Properties
Complexity:
515
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
399.231g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
399.538g/mol
Monoisotopic Mass:
399.231g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
39.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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