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148797-19-7 | Carbamic acid, [3,3-difluoro-2,4-dioxo-1-(phenylmethyl)-4-[(phenylmethyl)amino]butyl]-, 1,1-dimethylethyl ester, (S)- (9CI)
CAS No: 148797-19-7 Catalog No: AG001L74 MDL No:
Product Description
Catalog Number:
AG001L74
Chemical Name:
Carbamic acid, [3,3-difluoro-2,4-dioxo-1-(phenylmethyl)-4-[(phenylmethyl)amino]butyl]-, 1,1-dimethylethyl ester, (S)- (9CI)
CAS Number:
148797-19-7
Molecular Formula:
C23H26F2N2O4
Molecular Weight:
432.4603
IUPAC Name:
tert-butyl N-[(2S)-5-(benzylamino)-4,4-difluoro-3,5-dioxo-1-phenylpentan-2-yl]carbamate
InChI:
InChI=1S/C23H26F2N2O4/c1-22(2,3)31-21(30)27-18(14-16-10-6-4-7-11-16)19(28)23(24,25)20(29)26-15-17-12-8-5-9-13-17/h4-13,18H,14-15H2,1-3H3,(H,26,29)(H,27,30)/t18-/m0/s1
InChI Key:
FGWXXWXEHXDODE-SFHVURJKSA-N
SMILES:
O=C(OC(C)(C)C)N[C@H](C(=O)C(C(=O)NCc1ccccc1)(F)F)Cc1ccccc1
Properties
Complexity:
622
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
432.186g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
432.468g/mol
Monoisotopic Mass:
432.186g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
84.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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