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72156-66-2 | TERT-BUTYL N-[1-[[1-(HYDRAZINECARBONYL)-2-PHENYL-ETHYL]CARBAMOYL]-2-(1H-INDOL-3-YL)ETHYL]CARBAMATE
CAS No: 72156-66-2 Catalog No: AG005JSN MDL No:
Product Description
Catalog Number:
AG005JSN
Chemical Name:
TERT-BUTYL N-[1-[[1-(HYDRAZINECARBONYL)-2-PHENYL-ETHYL]CARBAMOYL]-2-(1H-INDOL-3-YL)ETHYL]CARBAMATE
CAS Number:
72156-66-2
Molecular Formula:
C25H31N5O4
Molecular Weight:
465.5447
IUPAC Name:
tert-butyl N-[1-[(1-hydrazinyl-1-oxo-3-phenylpropan-2-yl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
InChI:
InChI=1S/C25H31N5O4/c1-25(2,3)34-24(33)29-21(14-17-15-27-19-12-8-7-11-18(17)19)22(31)28-20(23(32)30-26)13-16-9-5-4-6-10-16/h4-12,15,20-21,27H,13-14,26H2,1-3H3,(H,28,31)(H,29,33)(H,30,32)
InChI Key:
SLXMQERYTLTDTG-UHFFFAOYSA-N
SMILES:
NNC(=O)C(NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)OC(C)(C)C)Cc1ccccc1
NSC Number:
249283
Properties
Complexity:
704
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
465.238g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
465.554g/mol
Monoisotopic Mass:
465.238g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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