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1187055-99-7 | Carbamic acid, N-[4-[(1R,3S,5S)-3-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-5-methylcyclohexyl]-3-pyridinyl]-, phenylmethyl ester, rel-
CAS No: 1187055-99-7 Catalog No: AG00IM5S MDL No:
Product Description
Catalog Number:
AG00IM5S
Chemical Name:
Carbamic acid, N-[4-[(1R,3S,5S)-3-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-5-methylcyclohexyl]-3-pyridinyl]-, phenylmethyl ester, rel-
CAS Number:
1187055-99-7
Molecular Formula:
C26H38N2O3Si
Molecular Weight:
454.6770
IUPAC Name:
benzyl N-[4-[(1R,3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methylcyclohexyl]pyridin-3-yl]carbamate
InChI:
InChI=1S/C26H38N2O3Si/c1-19-14-21(16-22(15-19)31-32(5,6)26(2,3)4)23-12-13-27-17-24(23)28-25(29)30-18-20-10-8-7-9-11-20/h7-13,17,19,21-22H,14-16,18H2,1-6H3,(H,28,29)/t19-,21+,22-/m0/s1
InChI Key:
PRXMPDREOFIZON-NNWRFLSQSA-N
SMILES:
C[C@@H]1C[C@@H](C[C@@H](C1)c1ccncc1NC(=O)OCc1ccccc1)O[Si](C(C)(C)C)(C)C
Properties
Complexity:
600
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
454.265g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
454.686g/mol
Monoisotopic Mass:
454.265g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
60.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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