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(2R)-2-{[(4S,5S)-1,3-dimethyl-4,5-diphenylimidazolidin-2-ylidene]amino}-3-phenylpropan-1-ol

(2R)-2-{[(4S,5S)-1,3-dimethyl-4,5-diphenylimidazolidin-2-ylidene]amino}-3-phenylpropan-1-ol

CAS: 210468-90-9

Formula: C26H29N3O

SMILES: CN1[C@H]([C@@H](N(C)C1=N[C@@H](CO)CC1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1

IUPAC: (2R)-2-{[(4S,5S)-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+/m1/s1

Composition: C (78.16%), H (7.32%), N (10.52%), O (4.00%)

Molar Mass: 399.538

Atom Count: 59

Heavy Atom Count: 30

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 3
Exact Mass 399.231062566
Formal Charge 0
FSP3 0.27
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey RAFFEHDNCQXIQG-DSITVLBTSA-N
Lipinski's Rule of Five 1
Molar Refractivity 122.41
Topological Polar Surface Area 39.07
Polarizability 47.1
Ring Count 4
Rotatable Bond Count 6

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