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885275-74-1 | 2-(4-(tert-Butoxycarbonyl)-1,4-diazepan-1-yl)-2-(naphthalen-2-yl)acetic acid
CAS No: 885275-74-1 Catalog No: AG0045WA MDL No:MFCD04115163
Product Description
Catalog Number:
AG0045WA
Chemical Name:
2-(4-(tert-Butoxycarbonyl)-1,4-diazepan-1-yl)-2-(naphthalen-2-yl)acetic acid
CAS Number:
885275-74-1
Molecular Formula:
C22H28N2O4
Molecular Weight:
384.4687
MDL Number:
MFCD04115163
IUPAC Name:
2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-diazepan-1-yl]-2-naphthalen-2-ylacetic acid
InChI:
InChI=1S/C22H28N2O4/c1-22(2,3)28-21(27)24-12-6-11-23(13-14-24)19(20(25)26)18-10-9-16-7-4-5-8-17(16)15-18/h4-5,7-10,15,19H,6,11-14H2,1-3H3,(H,25,26)
InChI Key:
MAKZZXDCBWXPEM-UHFFFAOYSA-N
SMILES:
O=C(N1CCCN(CC1)C(c1ccc2c(c1)cccc2)C(=O)O)OC(C)(C)C
Properties
Complexity:
559
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
384.205g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
384.476g/mol
Monoisotopic Mass:
384.205g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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