BM635

CAT: 0013-GTR19206416-03Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19206416-03Size:100 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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Description

BM635

CAS Number

1493762-74-5

Field of Research

Infectious Disease & Virology

Smiles

CC (C) c1ccc (cc1) -c1cc (CN2CCOCC2) c (C) n1-c1ccc (F) cc1

Molecular Formula

C25H29FN2O

Molecular Weight

392.51

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

4-[[1-(4-Fluorophenyl)-5-(4-isopropylphenyl)-2-methyl-pyrrol-3-yl]methyl]morpholine

CAS Number	1493762-74-5
PubChem CID	73953235
IUPAC Name	4-[[1-(4-fluorophenyl)-2-methyl-5-(4-propan-2-ylphenyl)pyrrol-3-yl]methyl]morpholine
Molecular Formula	C25H29FN2O
Molecular Weight	392.5
XLogP	5.1
Topological Polar Surface Area	17.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	29
Formal Charge	0
Complexity	493

SMILES

CC1=C(C=C(N1C2=CC=C(C=C2)F)C3=CC=C(C=C3)C(C)C)CN4CCOCC4

InChI

InChI=1S/C25H29FN2O/c1-18(2)20-4-6-21(7-5-20)25-16-22(17-27-12-14-29-15-13-27)19(3)28(25)24-10-8-23(26)9-11-24/h4-11,16,18H,12-15,17H2,1-3H3

InChIKey

NEEGNYKRJDHJNX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1493762-74-5

CID: 73953235

Formula: C25H29FN2O

MW: 392.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	392.5
XLogP3	5.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	392.22639171
Monoisotopic Mass	392.22639171
Topological Polar Surface Area	17.4 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	493
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