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2-[(3aR,8aS)-3aH,8H,8aH-indeno[1,2-d][1,3]oxazol-2-yl]-6-(diphenylmethyl)pyridine

2-[(3aR,8aS)-3aH,8H,8aH-indeno[1,2-d][1,3]oxazol-2-yl]-6-(diphenylmethyl)pyridine

CAS: 2757083-53-5

Formula: C28H22N2O

SMILES: C1[C@@H]2OC(=N[C@@H]2C2=C1C=CC=C2)C1=NC(=CC=C1)C(C1=CC=CC=C1)C1=CC=CC=C1

IUPAC: 2-[(3aR,8aS)-3aH,8H,8aH-indeno[1,2-d][1,3]oxazol-2-yl]-6-(diphenylmethyl)pyridine

InChI: InChI=1S/C28H22N2O/c1-3-10-19(11-4-1)26(20-12-5-2-6-13-20)23-16-9-17-24(29-23)28-30-27-22-15-8-7-14-21(22)18-25(27)31-28/h1-17,25-27H,18H2/t25-,27+/m0/s1

Composition: C (83.56%), H (5.51%), N (6.96%), O (3.97%)

Molar Mass: 402.497

Atom Count: 53

Heavy Atom Count: 31

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 2
Exact Mass 402.173213336
Formal Charge 0
FSP3 0.14
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey QYBKALXGBXIHIG-AHKZPQOWSA-N
Lipinski's Rule of Five
Molar Refractivity 122.05
Topological Polar Surface Area 34.48
Polarizability 47.26
Ring Count 6
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
97% <5 Days 2757083-53-5 $213.11-$999.97$213.11$360.65$999.97
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