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566200-79-1 | (S)-6-(1,3-dihydroxy-1-(1-trityl-1H-iMidazol-4-yl)propyl)-N-Methyl-2-naphthaMide
CAS No: 566200-79-1 Catalog No: AG00ECBG MDL No:
Product Description
Catalog Number:
AG00ECBG
Chemical Name:
(S)-6-(1,3-dihydroxy-1-(1-trityl-1H-iMidazol-4-yl)propyl)-N-Methyl-2-naphthaMide
CAS Number:
566200-79-1
Molecular Formula:
C37H33N3O3
Molecular Weight:
567.6762
IUPAC Name:
6-[(1S)-1,3-dihydroxy-1-(1-tritylimidazol-4-yl)propyl]-N-methylnaphthalene-2-carboxamide
InChI:
InChI=1S/C37H33N3O3/c1-38-35(42)29-18-17-28-24-33(20-19-27(28)23-29)36(43,21-22-41)34-25-40(26-39-34)37(30-11-5-2-6-12-30,31-13-7-3-8-14-31)32-15-9-4-10-16-32/h2-20,23-26,41,43H,21-22H2,1H3,(H,38,42)/t36-/m0/s1
InChI Key:
UXPBYIZHMMSNDJ-BHVANESWSA-N
SMILES:
OCC[C@@](c1ncn(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccc2c(c1)ccc(c2)C(=O)NC)O
Properties
Complexity:
850
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
567.252g/mol
Formal Charge:
0
Heavy Atom Count:
43
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
567.689g/mol
Monoisotopic Mass:
567.252g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
87.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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