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180386-35-0 | 1,3,8-Triazaspiro[4.5]decane-3-acetic acid, 8-[(1,1-dimethylethoxy)carbonyl]-4-oxo-1-phenyl-
CAS No: 180386-35-0 Catalog No: AG0021YS MDL No:MFCD00673780
Product Description
Catalog Number:
AG0021YS
Chemical Name:
1,3,8-Triazaspiro[4.5]decane-3-acetic acid, 8-[(1,1-dimethylethoxy)carbonyl]-4-oxo-1-phenyl-
CAS Number:
180386-35-0
Molecular Formula:
C20H27N3O5
Molecular Weight:
389.4455
MDL Number:
MFCD00673780
IUPAC Name:
2-[8-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetic acid
InChI:
InChI=1S/C20H27N3O5/c1-19(2,3)28-18(27)21-11-9-20(10-12-21)17(26)22(13-16(24)25)14-23(20)15-7-5-4-6-8-15/h4-8H,9-14H2,1-3H3,(H,24,25)
InChI Key:
JCGYOUBJGZCPET-UHFFFAOYSA-N
SMILES:
OC(=O)CN1CN(C2(C1=O)CCN(CC2)C(=O)OC(C)(C)C)c1ccccc1
Properties
Complexity:
616
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
389.195g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
389.452g/mol
Monoisotopic Mass:
389.195g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
90.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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