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82402-02-6 | 3-(3,3-DI(3-THIENYL)-2-PROPENYL)-4-METHYL-5-PHENYL-1,3-OXAZOLIDINE
CAS No: 82402-02-6 Catalog No: AG005BQG MDL No:
Product Description
Catalog Number:
AG005BQG
Chemical Name:
3-(3,3-DI(3-THIENYL)-2-PROPENYL)-4-METHYL-5-PHENYL-1,3-OXAZOLIDINE
CAS Number:
82402-02-6
Molecular Formula:
C21H21NOS2
Molecular Weight:
367.5275
IUPAC Name:
3-[3,3-di(thiophen-3-yl)prop-2-enyl]-4-methyl-5-phenyl-1,3-oxazolidine
InChI:
InChI=1S/C21H21NOS2/c1-16-21(17-5-3-2-4-6-17)23-15-22(16)10-7-20(18-8-11-24-13-18)19-9-12-25-14-19/h2-9,11-14,16,21H,10,15H2,1H3
InChI Key:
JAFWSMULEQCSON-UHFFFAOYSA-N
SMILES:
CC1N(COC1c1ccccc1)CC=C(c1cscc1)c1cscc1
NSC Number:
378899
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
367.106g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
367.525g/mol
Monoisotopic Mass:
367.106g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
69A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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