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1174064-68-6 | Carbamic acid, N-[(1S)-4-(dimethylamino)-1-(1-piperazinylcarbonyl)butyl]-, 1,1-dimethylethyl ester
CAS No: 1174064-68-6 Catalog No: AG000E9O MDL No:MFCD13151990
Product Description
Catalog Number:
AG000E9O
Chemical Name:
Carbamic acid, N-[(1S)-4-(dimethylamino)-1-(1-piperazinylcarbonyl)butyl]-, 1,1-dimethylethyl ester
CAS Number:
1174064-68-6
Molecular Formula:
C16H32N4O3
Molecular Weight:
328.4503
MDL Number:
MFCD13151990
IUPAC Name:
tert-butyl N-[(2S)-5-(dimethylamino)-1-oxo-1-piperazin-1-ylpentan-2-yl]carbamate
InChI:
InChI=1S/C16H32N4O3/c1-16(2,3)23-15(22)18-13(7-6-10-19(4)5)14(21)20-11-8-17-9-12-20/h13,17H,6-12H2,1-5H3,(H,18,22)/t13-/m0/s1
InChI Key:
CDZDEHVWAXDQAQ-ZDUSSCGKSA-N
SMILES:
CN(CCC[C@@H](C(=O)N1CCNCC1)NC(=O)OC(C)(C)C)C
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
328.247g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
328.457g/mol
Monoisotopic Mass:
328.247g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
73.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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