Name: Name:tert-butyl N-[1-(6-chloro-2-phenoxypyrimidin-4-yl)piperidin-3-yl]carbamate
Brand: Angene
SKU: AG01AJI0
Rating: 90 (10 reviews)

tert-butyl N-[1-(6-chloro-2-phenoxypyrimidin-4-yl)piperidin-3-yl]carbamate

CAS No.:

1334149-00-6

Catalog Number:

AG01AJI0

Molecular Formula:

C20H25ClN4O3

Molecular Weight:

404.8905

Catalog Number:

AG01AJI0

Chemical Name:

tert-butyl N-[1-(6-chloro-2-phenoxypyrimidin-4-yl)piperidin-3-yl]carbamate

CAS Number:

1334149-00-6

Molecular Formula:

C20H25ClN4O3

Molecular Weight:

404.8905

MDL Number:

MFCD19686252

IUPAC Name:

tert-butyl N-[1-(6-chloro-2-phenoxypyrimidin-4-yl)piperidin-3-yl]carbamate

InChI:

InChI=1S/C20H25ClN4O3/c1-20(2,3)28-19(26)22-14-8-7-11-25(13-14)17-12-16(21)23-18(24-17)27-15-9-5-4-6-10-15/h4-6,9-10,12,14H,7-8,11,13H2,1-3H3,(H,22,26)

InChI Key:

JNQRQOHDEQESSK-UHFFFAOYSA-N

SMILES:

O=C(OC(C)(C)C)NC1CCCN(C1)c1cc(Cl)nc(n1)Oc1ccccc1

Complexity:

510

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

404.162g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

404.895g/mol

Monoisotopic Mass:

404.162g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

76.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.7