Name: Name:3-((3aS,4R,6aR)-6-(benzyloxyMethyl)-2,2-diMethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)-4-chloro-3H-iMidazo[4,5-c]pyridine
Brand: Angene
SKU: AG008TC7
Rating: 90 (10 reviews)

3-((3aS,4R,6aR)-6-(benzyloxyMethyl)-2,2-diMethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)-4-chloro-3H-iMidazo[4,5-c]pyridine

CAS No.:

105522-24-5

Catalog Number:

AG008TC7

Molecular Formula:

C22H22ClN3O3

Molecular Weight:

411.8814

Catalog Number:

AG008TC7

Chemical Name:

3-((3aS,4R,6aR)-6-(benzyloxyMethyl)-2,2-diMethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)-4-chloro-3H-iMidazo[4,5-c]pyridine

CAS Number:

105522-24-5

Molecular Formula:

C22H22ClN3O3

Molecular Weight:

411.8814

MDL Number:

MFCD22124552

IUPAC Name:

3-[(3aR,6R,6aS)-2,2-dimethyl-4-(phenylmethoxymethyl)-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]-4-chloroimidazo[4,5-c]pyridine

InChI:

InChI=1S/C22H22ClN3O3/c1-22(2)28-19-15(12-27-11-14-6-4-3-5-7-14)10-17(20(19)29-22)26-13-25-16-8-9-24-21(23)18(16)26/h3-10,13,17,19-20H,11-12H2,1-2H3/t17-,19-,20+/m1/s1

InChI Key:

BSKBPPOQPBFMAN-RLLQIKCJSA-N

SMILES:

Clc1nccc2c1n(cn2)[C@@H]1C=C([C@@H]2[C@H]1OC(O2)(C)C)COCc1ccccc1

Complexity:

624

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

411.135g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

411.886g/mol

Monoisotopic Mass:

411.135g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

58.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.7