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72156-69-5 | TERT-BUTYL N-[1-[1-(HYDRAZINECARBONYL)ETHYLCARBAMOYL]-2-(1H-INDOL-3-YL)ETHYL]CARBAMATE
CAS No: 72156-69-5 Catalog No: AG005VVN MDL No:
Product Description
Catalog Number:
AG005VVN
Chemical Name:
TERT-BUTYL N-[1-[1-(HYDRAZINECARBONYL)ETHYLCARBAMOYL]-2-(1H-INDOL-3-YL)ETHYL]CARBAMATE
CAS Number:
72156-69-5
Molecular Formula:
C19H27N5O4
Molecular Weight:
389.4488
IUPAC Name:
tert-butyl N-[1-[(1-hydrazinyl-1-oxopropan-2-yl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
InChI:
InChI=1S/C19H27N5O4/c1-11(16(25)24-20)22-17(26)15(23-18(27)28-19(2,3)4)9-12-10-21-14-8-6-5-7-13(12)14/h5-8,10-11,15,21H,9,20H2,1-4H3,(H,22,26)(H,23,27)(H,24,25)
InChI Key:
DZWKWCBOUNMSHQ-UHFFFAOYSA-N
SMILES:
NNC(=O)C(NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)OC(C)(C)C)C
NSC Number:
262675
Properties
Complexity:
577
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
389.206g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
389.456g/mol
Monoisotopic Mass:
389.206g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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