Home Carboxys (6S,7S)-Methyl 7-(hydroxycarbamoyl)-6-(4-phenylpiperazine-1-carbonyl)-5-azaspiro[2.5]octane-5-carboxylate

(6S,7S)-Methyl 7-(hydroxycarbamoyl)-6-(4-phenylpiperazine-1-carbonyl)-5-azaspiro[2.5]octane-5-carboxylate

CAS No.:
791828-58-5
Catalog Number:
AG005A0O
Molecular Formula:
C21H28N4O5
Molecular Weight:
416.4708
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Product Description
Catalog Number:
AG005A0O
Chemical Name:
(6S,7S)-Methyl 7-(hydroxycarbamoyl)-6-(4-phenylpiperazine-1-carbonyl)-5-azaspiro[2.5]octane-5-carboxylate
CAS Number:
791828-58-5
Molecular Formula:
C21H28N4O5
Molecular Weight:
416.4708
MDL Number:
MFCD13195569
IUPAC Name:
methyl (6S,7S)-7-(hydroxycarbamoyl)-6-(4-phenylpiperazine-1-carbonyl)-5-azaspiro[2.5]octane-5-carboxylate
InChI:
InChI=1S/C21H28N4O5/c1-30-20(28)25-14-21(7-8-21)13-16(18(26)22-29)17(25)19(27)24-11-9-23(10-12-24)15-5-3-2-4-6-15/h2-6,16-17,29H,7-14H2,1H3,(H,22,26)/t16-,17-/m0/s1
InChI Key:
DJXMSZSZEIKLQZ-IRXDYDNUSA-N
SMILES:
ONC(=O)[C@H]1CC2(CC2)CN([C@@H]1C(=O)N1CCN(CC1)c1ccccc1)C(=O)OC
UNII:
V9YL6NEJ3G
Properties
Complexity:
668  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
416.206g/mol
Formal Charge:
0
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
416.478g/mol
Monoisotopic Mass:
416.206g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties