SEA0400 100mg

CAT: 0628-A15236-100Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0628-A15236-100Size:100 mg

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

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CAS Number

223104-29-8

Chemical Information

Sea-0400

SEA0400 is an organic molecular entity. It has a role as an inhibitor.

CAS Number	223104-29-8
PubChem CID	644100
IUPAC Name	2-[4-[(2,5-difluorophenyl)methoxy]phenoxy]-5-ethoxyaniline
Molecular Formula	C21H19F2NO3
Molecular Weight	371.4
XLogP	4.8
Topological Polar Surface Area	53.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Heavy Atom Count	27
Formal Charge	0
Complexity	434

SMILES

CCOC1=CC(=C(C=C1)OC2=CC=C(C=C2)OCC3=C(C=CC(=C3)F)F)N

InChI

InChI=1S/C21H19F2NO3/c1-2-25-18-8-10-21(20(24)12-18)27-17-6-4-16(5-7-17)26-13-14-11-15(22)3-9-19(14)23/h3-12H,2,13,24H2,1H3

InChIKey

YSUBLPUJDOWYDP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 223104-29-8

CID: 644100

Formula: C21H19F2NO3

MW: 371.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	371.4
XLogP3	4.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Exact Mass	371.13329979
Monoisotopic Mass	371.13329979
Topological Polar Surface Area	53.7 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	434
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