Name: Name:Benzonitrile, 2-[[6-[(3R)-3-[[3-[(2-cyanophenyl)methyl]-1,2,3,6-tetrahydro-1-methyl-2,6-dioxo-4-pyrimidinyl]amino]-1-piperidinyl]-3,4-dihydro-3-methyl-2,4-dioxo-1(2H)-pyrimidinyl]methyl]-
Brand: Angene
SKU: AG000TF5
Rating: 90 (10 reviews)

Benzonitrile, 2-[[6-[(3R)-3-[[3-[(2-cyanophenyl)methyl]-1,2,3,6-tetrahydro-1-methyl-2,6-dioxo-4-pyrimidinyl]amino]-1-piperidinyl]-3,4-dihydro-3-methyl-2,4-dioxo-1(2H)-pyrimidinyl]methyl]-

CAS No.:

1268836-55-0

Catalog Number:

AG000TF5

Molecular Formula:

C31H30N8O4

Molecular Weight:

578.6211

Catalog Number:

AG000TF5

Chemical Name:

Benzonitrile, 2-[[6-[(3R)-3-[[3-[(2-cyanophenyl)methyl]-1,2,3,6-tetrahydro-1-methyl-2,6-dioxo-4-pyrimidinyl]amino]-1-piperidinyl]-3,4-dihydro-3-methyl-2,4-dioxo-1(2H)-pyrimidinyl]methyl]-

CAS Number:

1268836-55-0

Molecular Formula:

C31H30N8O4

Molecular Weight:

578.6211

MDL Number:

MFCD26960553

IUPAC Name:

2-[[6-[[(3R)-1-[3-[(2-cyanophenyl)methyl]-1-methyl-2,6-dioxopyrimidin-4-yl]piperidin-3-yl]amino]-3-methyl-2,4-dioxopyrimidin-1-yl]methyl]benzonitrile

InChI:

InChI=1S/C31H30N8O4/c1-35-28(40)14-26(38(30(35)42)18-23-10-5-3-8-21(23)16-32)34-25-12-7-13-37(20-25)27-15-29(41)36(2)31(43)39(27)19-24-11-6-4-9-22(24)17-33/h3-6,8-11,14-15,25,34H,7,12-13,18-20H2,1-2H3/t25-/m1/s1

InChI Key:

JHBZCPZIKAFEEU-RUZDIDTESA-N

SMILES:

N#Cc1ccccc1Cn1c(N[C@@H]2CCCN(C2)c2cc(=O)n(c(=O)n2Cc2ccccc2C#N)C)cc(=O)n(c1=O)C

Complexity:

1310

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

578.239g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

578.633g/mol

Monoisotopic Mass:

578.239g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

144A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.1