(S) - (+) -N-3-Benzylnirvanol

CAT: 0127-BUP01106-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP01106-01Size:1 mg

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CAS Number

790676-40-3

Synonyms

ZSN-76403

Purity

=98%

Smiles

C(C)[C@@]1(C(=O)N(CC2=CC=CC=C2)C(=O)N1)C3=CC=CC=C3

Chemical Information

(5S)-3-Benzyl-5-ethyl-5-phenylimidazolidine-2,4-dione

CAS Number	790676-40-3
PubChem CID	40633600
IUPAC Name	(5S)-3-benzyl-5-ethyl-5-phenylimidazolidine-2,4-dione
Molecular Formula	C18H18N2O2
Molecular Weight	294.3
XLogP	3
Topological Polar Surface Area	49.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Heavy Atom Count	22
Formal Charge	0
Complexity	425

SMILES

CC[C@@]1(C(=O)N(C(=O)N1)CC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C18H18N2O2/c1-2-18(15-11-7-4-8-12-15)16(21)20(17(22)19-18)13-14-9-5-3-6-10-14/h3-12H,2,13H2,1H3,(H,19,22)/t18-/m0/s1

InChIKey

ZMZDHUHMXXALFX-SFHVURJKSA-N

Chemical Structure

2D Structure

CAS: 790676-40-3

CID: 40633600

Formula: C18H18N2O2

MW: 294.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	294.3
XLogP3	3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	294.136827821
Monoisotopic Mass	294.136827821
Topological Polar Surface Area	49.4 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	425
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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