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2-[3-({5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl}methoxy)-8-azabicyclo[3.2.1]octan-8-yl]-4-fluoro-1,3-benzothiazole-6-carboxylic acid

2-[3-({5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl}methoxy)-8-azabicyclo[3.2.1]octan-8-yl]-4-fluoro-1,3-benzothiazole-6-carboxylic acid

CAS: 1383816-29-2

Formula: C29H25F4N3O5S

SMILES: OC(=O)C1=CC(F)=C2N=C(SC2=C1)N1C2CCC1CC(C2)OCC1=C(ON=C1C1=CC=CC=C1OC(F)(F)F)C1CC1

IUPAC: 2-[3-({5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl}methoxy)-8-azabicyclo[3.2.1]octan-8-yl]-4-fluoro-1,3-benzothiazole-6-carboxylic acid

InChI: InChI=1/C29H25F4N3O5S/c30-21-9-15(27(37)38)10-23-25(21)34-28(42-23)36-16-7-8-17(36)12-18(11-16)39-13-20-24(35-41-26(20)14-5-6-14)19-3-1-2-4-22(19)40-29(31,32)33/h1-4,9-10,14,16-18H,5-8,11-13H2,(H,37,38)

Composition: C (57.71%), H (4.18%), F (12.59%), N (6.96%), O (13.25%), S (5.31%)

Molar Mass: 603.59

Atom Count: 67

Heavy Atom Count: 42

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 2
Exact Mass 603.145104743
Formal Charge 0
FSP3 0.41
Hetero Ring Count 4
Hydrogen Bond Acceptor Count 7
Hydrogen Bond Donor Count 1
InChIKey VYLOOGHLKSNNEK-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 140.09
Topological Polar Surface Area 97.92
Polarizability 55.84
Ring Count 7
Rotatable Bond Count 9

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Purity LeadTime CAS UnitPrice
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