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Home > Other Heterocycles > 190334-45-3
190334-45-3 | Spiro[4H-1-benzazepine-4,1'-cyclohexane]-2,5(1H,3H)-dione, 4'-hydroxy-3'-(4-methylbenzoyl)-4'-(4-methylphenyl)-, (1'R,3'R,4'S)-rel-
CAS No: 190334-45-3 Catalog No: AG002EHB MDL No:
Product Description
Catalog Number:
AG002EHB
Chemical Name:
Spiro[4H-1-benzazepine-4,1'-cyclohexane]-2,5(1H,3H)-dione, 4'-hydroxy-3'-(4-methylbenzoyl)-4'-(4-methylphenyl)-, (1'R,3'R,4'S)-rel-
CAS Number:
190334-45-3
Molecular Formula:
C30H29NO4
Molecular Weight:
467.5556
IUPAC Name:
1'-hydroxy-2'-(4-methylbenzoyl)-1'-(4-methylphenyl)spiro[1,3-dihydro-1-benzazepine-4,4'-cyclohexane]-2,5-dione
InChI:
InChI=1S/C30H29NO4/c1-19-7-11-21(12-8-19)27(33)24-17-29(15-16-30(24,35)22-13-9-20(2)10-14-22)18-26(32)31-25-6-4-3-5-23(25)28(29)34/h3-14,24,35H,15-18H2,1-2H3,(H,31,32)
InChI Key:
JRGKQMNVZWSJDM-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C(=O)[C@@H]1C[C@]2(CC[C@@]1(O)c1ccc(cc1)C)CC(=O)Nc1c(C2=O)cccc1
NSC Number:
682761
Properties
Complexity:
824
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
467.21g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
467.565g/mol
Monoisotopic Mass:
467.21g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.5A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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