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866039-70-5 | (2Z)-2-(2H-1,3-benzodioxol-5-yl)-3-[1-(2-methylpropyl)-1,2,3,4-tetrahydroquinolin-6-yl]prop-2-enenitrile
CAS No: 866039-70-5 Catalog No: AG00IUGW MDL No:MFCD03848584
Product Description
Catalog Number:
AG00IUGW
Chemical Name:
(2Z)-2-(2H-1,3-benzodioxol-5-yl)-3-[1-(2-methylpropyl)-1,2,3,4-tetrahydroquinolin-6-yl]prop-2-enenitrile
CAS Number:
866039-70-5
Molecular Formula:
C23H24N2O2
Molecular Weight:
360.4489
MDL Number:
MFCD03848584
IUPAC Name:
(Z)-2-(1,3-benzodioxol-5-yl)-3-[1-(2-methylpropyl)-3,4-dihydro-2H-quinolin-6-yl]prop-2-enenitrile
InChI:
InChI=1S/C23H24N2O2/c1-16(2)14-25-9-3-4-19-10-17(5-7-21(19)25)11-20(13-24)18-6-8-22-23(12-18)27-15-26-22/h5-8,10-12,16H,3-4,9,14-15H2,1-2H3/b20-11+
InChI Key:
VXHOSRANWOVWGT-RGVLZGJSSA-N
SMILES:
N#C/C(=C\c1ccc2c(c1)CCCN2CC(C)C)/c1ccc2c(c1)OCO2
Properties
Complexity:
592
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
360.184g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
360.457g/mol
Monoisotopic Mass:
360.184g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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