MPT0B098

CAT: 0926-EAC36389-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0926-EAC36389-02Size:25 mg

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

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CAS Number

1254363-89-7

MDL Number

MFCD28138420

Smiles

COC1=CC=C (C=C1) S (=O) (=O) N2CCC3=C2C (=CC=C3) C4=CC=NC=C4

Molecular Formula

C20H18N2O3S

Molecular Weight

366.4 g/mol

Controlled

Chemical Information

1-(4-Methoxyphenyl)sulfonyl-7-pyridin-4-yl-2,3-dihydroindole

CAS Number	1254363-89-7
PubChem CID	50898338
IUPAC Name	1-(4-methoxyphenyl)sulfonyl-7-pyridin-4-yl-2,3-dihydroindole
Molecular Formula	C20H18N2O3S
Molecular Weight	366.4
XLogP	3.2
Topological Polar Surface Area	67.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	26
Formal Charge	0
Complexity	562

SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCC3=C2C(=CC=C3)C4=CC=NC=C4

InChI

InChI=1S/C20H18N2O3S/c1-25-17-5-7-18(8-6-17)26(23,24)22-14-11-16-3-2-4-19(20(16)22)15-9-12-21-13-10-15/h2-10,12-13H,11,14H2,1H3

InChIKey

AGYCYVPAEQVWJT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1254363-89-7

CID: 50898338

Formula: C20H18N2O3S

MW: 366.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	366.4
XLogP3	3.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	366.10381361
Monoisotopic Mass	366.10381361
Topological Polar Surface Area	67.9 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	562
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

Catalog	Name
MBS3601031-01	MPT0B098