Name: Name:1-(1-(2-ethyl-5-Methoxy-4-nitrophenyl)piperidin-4-yl)-4-(Methylsulfonyl)piperazine
Brand: Angene
SKU: AG008TA9
Rating: 90 (10 reviews)

1-(1-(2-ethyl-5-Methoxy-4-nitrophenyl)piperidin-4-yl)-4-(Methylsulfonyl)piperazine

CAS No.:

1089282-90-5

Catalog Number:

AG008TA9

Molecular Formula:

C19H30N4O5S

Molecular Weight:

426.5303

Catalog Number:

AG008TA9

Chemical Name:

1-(1-(2-ethyl-5-Methoxy-4-nitrophenyl)piperidin-4-yl)-4-(Methylsulfonyl)piperazine

CAS Number:

1089282-90-5

Molecular Formula:

C19H30N4O5S

Molecular Weight:

426.5303

MDL Number:

MFCD18642951

IUPAC Name:

1-[1-(2-ethyl-5-methoxy-4-nitrophenyl)piperidin-4-yl]-4-methylsulfonylpiperazine

InChI:

InChI=1S/C19H30N4O5S/c1-4-15-13-18(23(24)25)19(28-2)14-17(15)21-7-5-16(6-8-21)20-9-11-22(12-10-20)29(3,26)27/h13-14,16H,4-12H2,1-3H3

InChI Key:

RKNMTVANTXSCHA-UHFFFAOYSA-N

SMILES:

CCc1cc([N+](=O)[O-])c(cc1N1CCC(CC1)N1CCN(CC1)S(=O)(=O)C)OC

Complexity:

649

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

426.194g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

426.532g/mol

Monoisotopic Mass:

426.194g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

107A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3