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tasimelteon

tasimelteon

CAS: 609799-22-6

Formula: C15H19NO2

SMILES: [H][C@@]1(CNC(=O)CC)C[C@@]1([H])C1=C2CCOC2=CC=C1

IUPAC: N-{[(1R,2R)-2-(2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]methyl}propanamide

InChI: InChI=1S/C15H19NO2/c1-2-15(17)16-9-10-8-13(10)11-4-3-5-14-12(11)6-7-18-14/h3-5,10,13H,2,6-9H2,1H3,(H,16,17)/t10-,13+/m1/s1

Composition: C (73.44%), H (7.81%), N (5.71%), O (13.04%)

Molar Mass: 245.322

Atom Count: 37

Heavy Atom Count: 18

Properties
Properties
Common Names tasimelteon
Aromatic Ring Count 1
Asymmetric Atom Count 2
Exact Mass 245.141578856
Formal Charge 0
FSP3 0.53
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey PTOIAAWZLUQTIO-GXFFZTMASA-N
Lipinski's Rule of Five 1
Molar Refractivity 70.35
Topological Polar Surface Area 38.33
Polarizability 27.25
Ring Count 3
Rotatable Bond Count 4

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