Home Halogens Carbamic acid, N-[(1S)-1-[[(6S)-6-[5-(7-bromo-9,9-difluoro-9H-fluoren-2-yl)-1H-imidazol-2-yl]-5-azaspiro[2.4]hept-5-yl]carbonyl]-2-methylpropyl]-, methyl ester

Carbamic acid, N-[(1S)-1-[[(6S)-6-[5-(7-bromo-9,9-difluoro-9H-fluoren-2-yl)-1H-imidazol-2-yl]-5-azaspiro[2.4]hept-5-yl]carbonyl]-2-methylpropyl]-, methyl ester

CAS No.:
1256388-50-7
Catalog Number:
AG009CA4
Molecular Formula:
C29H29BrF2N4O3
Molecular Weight:
599.4664
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Product Description
Catalog Number:
AG009CA4
Chemical Name:
Carbamic acid, N-[(1S)-1-[[(6S)-6-[5-(7-bromo-9,9-difluoro-9H-fluoren-2-yl)-1H-imidazol-2-yl]-5-azaspiro[2.4]hept-5-yl]carbonyl]-2-methylpropyl]-, methyl ester
CAS Number:
1256388-50-7
Molecular Formula:
C29H29BrF2N4O3
Molecular Weight:
599.4664
MDL Number:
MFCD28347556
IUPAC Name:
methyl N-[(2S)-1-[(6S)-6-[5-(7-bromo-9,9-difluorofluoren-2-yl)-1H-imidazol-2-yl]-5-azaspiro[2.4]heptan-5-yl]-3-methyl-1-oxobutan-2-yl]carbamate
InChI:
InChI=1S/C29H29BrF2N4O3/c1-15(2)24(35-27(38)39-3)26(37)36-14-28(8-9-28)12-23(36)25-33-13-22(34-25)16-4-6-18-19-7-5-17(30)11-21(19)29(31,32)20(18)10-16/h4-7,10-11,13,15,23-24H,8-9,12,14H2,1-3H3,(H,33,34)(H,35,38)/t23-,24-/m0/s1
InChI Key:
VIGLTXJDEPHZTC-ZEQRLZLVSA-N
SMILES:
COC(=O)N[C@H](C(=O)N1CC2(C[C@H]1c1ncc([nH]1)c1ccc3c(c1)C(F)(F)c1c3ccc(c1)Br)CC2)C(C)C
Properties
Complexity:
965  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
598.139g/mol
Formal Charge:
0
Heavy Atom Count:
39  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
599.477g/mol
Monoisotopic Mass:
598.139g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
87.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4  
Properties