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Home > Quinoline > 215790-38-8
215790-38-8 | (Trans)-4-[2-(6-Cyano-3,4-dihydro-2(1H)-isoquinolinyl)ethyl]cyclohexyl}-carbamic acid, tert-butyl ester
CAS No: 215790-38-8 Catalog No: AG00JP6U MDL No:
Product Description
Catalog Number:
AG00JP6U
Chemical Name:
(Trans)-4-[2-(6-Cyano-3,4-dihydro-2(1H)-isoquinolinyl)ethyl]cyclohexyl}-carbamic acid, tert-butyl ester
CAS Number:
215790-38-8
Molecular Formula:
C23H33N3O2
Molecular Weight:
383.5270
IUPAC Name:
tert-butyl N-[4-[2-(6-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]carbamate
InChI:
InChI=1S/C23H33N3O2/c1-23(2,3)28-22(27)25-21-8-5-17(6-9-21)10-12-26-13-11-19-14-18(15-24)4-7-20(19)16-26/h4,7,14,17,21H,5-6,8-13,16H2,1-3H3,(H,25,27)
InChI Key:
QNIXHVBGZXMWAU-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)CCN(C2)CC[C@@H]1CC[C@H](CC1)NC(=O)OC(C)(C)C
Properties
Complexity:
568
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
383.257g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
383.536g/mol
Monoisotopic Mass:
383.257g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
65.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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