Name: Name:8-[4-(4-FLUOROPHENYL)-4-OXOBUTYL]-3-[2-(4-NITROPHENYL)ETHYL]-1-PHENYL-1,3,8-TRIAZASPIRO[4.5]DECAN-4-ONE
Brand: Angene
SKU: AG00805O
Rating: 90 (10 reviews)

8-[4-(4-FLUOROPHENYL)-4-OXOBUTYL]-3-[2-(4-NITROPHENYL)ETHYL]-1-PHENYL-1,3,8-TRIAZASPIRO[4.5]DECAN-4-ONE

CAS No.:

136247-18-2

Catalog Number:

AG00805O

Molecular Formula:

C31H33FN4O4

Molecular Weight:

544.6165

Catalog Number:

AG00805O

Chemical Name:

8-[4-(4-FLUOROPHENYL)-4-OXOBUTYL]-3-[2-(4-NITROPHENYL)ETHYL]-1-PHENYL-1,3,8-TRIAZASPIRO[4.5]DECAN-4-ONE

CAS Number:

136247-18-2

Molecular Formula:

C31H33FN4O4

Molecular Weight:

544.6165

MDL Number:

MFCD09952256

IUPAC Name:

8-[4-(4-fluorophenyl)-4-oxobutyl]-3-[2-(4-nitrophenyl)ethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

InChI:

InChI=1S/C31H33FN4O4/c32-26-12-10-25(11-13-26)29(37)7-4-19-33-21-17-31(18-22-33)30(38)34(23-35(31)27-5-2-1-3-6-27)20-16-24-8-14-28(15-9-24)36(39)40/h1-3,5-6,8-15H,4,7,16-23H2

InChI Key:

VAROERVHUKRDNF-UHFFFAOYSA-N

SMILES:

Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CN(C2=O)CCc1ccc(cc1)[N+](=O)[O-])c1ccccc1

Complexity:

867

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

544.249g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

544.627g/mol

Monoisotopic Mass:

544.249g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

89.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

5.4