L-371,257 5mg

CAT: 0628-A21219-5Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0628-A21219-5Size:5 mg

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CAS Number

162042-44-6

Chemical Information

L 371257

structure given in first source

CAS Number	162042-44-6
PubChem CID	6918320
IUPAC Name	1-[1-[4-(1-acetylpiperidin-4-yl)oxy-2-methoxybenzoyl]piperidin-4-yl]-4H-3,1-benzoxazin-2-one
Molecular Formula	C28H33N3O6
Molecular Weight	507.6
XLogP	3
Topological Polar Surface Area	88.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Heavy Atom Count	37
Formal Charge	0
Complexity	823

SMILES

CC(=O)N1CCC(CC1)OC2=CC(=C(C=C2)C(=O)N3CCC(CC3)N4C5=CC=CC=C5COC4=O)OC

InChI

InChI=1S/C28H33N3O6/c1-19(32)29-15-11-22(12-16-29)37-23-7-8-24(26(17-23)35-2)27(33)30-13-9-21(10-14-30)31-25-6-4-3-5-20(25)18-36-28(31)34/h3-8,17,21-22H,9-16,18H2,1-2H3

InChIKey

WDERJSQJYIJOPD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 162042-44-6

CID: 6918320

Formula: C28H33N3O6

MW: 507.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	507.6
XLogP3	3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	507.23693578
Monoisotopic Mass	507.23693578
Topological Polar Surface Area	88.6 Å²
Heavy Atom Count	37
Formal Charge	0
Complexity	823
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
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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Catalog	Name
B7045-5	L-371,257
MBS3845650-01	L-371, 257
T28620-01	RTI-371
T32050-01	HCV-371
GTR19333488	GNE-371
MBS3601128-01	APD-371
BG167527-01	GNE 371
BA165146-01	APD 371
HY-124657	PRN-371

L-371,257 5mg

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