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150358-83-1 | 1,3,8-Triazaspiro[4.5]dec-3-en-2-one, 4-(cyclohexylaMino)-1-phenyl-8-(phenylMethyl)-
CAS No: 150358-83-1 Catalog No: AG001MKA MDL No:
Product Description
Catalog Number:
AG001MKA
Chemical Name:
1,3,8-Triazaspiro[4.5]dec-3-en-2-one, 4-(cyclohexylaMino)-1-phenyl-8-(phenylMethyl)-
CAS Number:
150358-83-1
Molecular Formula:
C26H32N4O
Molecular Weight:
416.5585
IUPAC Name:
8-benzyl-4-cyclohexylimino-1-phenyl-1,3,8-triazaspiro[4.5]decan-2-one
InChI:
InChI=1S/C26H32N4O/c31-25-28-24(27-22-12-6-2-7-13-22)26(30(25)23-14-8-3-9-15-23)16-18-29(19-17-26)20-21-10-4-1-5-11-21/h1,3-5,8-11,14-15,22H,2,6-7,12-13,16-20H2,(H,27,28,31)
InChI Key:
VAFQNFGVNZIBOO-UHFFFAOYSA-N
SMILES:
O=C1N=C(C2(N1c1ccccc1)CCN(CC2)Cc1ccccc1)NC1CCCCC1
Properties
Complexity:
636
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
416.258g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
416.569g/mol
Monoisotopic Mass:
416.258g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
47.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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