Name: Name:Methanone, (2-butyl-5-nitro-3-benzofuranyl)[4-[3-(dibutylamino)propoxy]phenyl]-
Brand: Angene
SKU: AG001GU4
Rating: 90 (10 reviews)

Methanone, (2-butyl-5-nitro-3-benzofuranyl)[4-[3-(dibutylamino)propoxy]phenyl]-

CAS No.:

141645-23-0

Catalog Number:

AG001GU4

Molecular Formula:

C30H40N2O5

Molecular Weight:

508.6490

Catalog Number:

AG001GU4

Chemical Name:

Methanone, (2-butyl-5-nitro-3-benzofuranyl)[4-[3-(dibutylamino)propoxy]phenyl]-

CAS Number:

141645-23-0

Molecular Formula:

C30H40N2O5

Molecular Weight:

508.6490

MDL Number:

MFCD18072491

IUPAC Name:

(2-butyl-5-nitro-1-benzofuran-3-yl)-[4-[3-(dibutylamino)propoxy]phenyl]methanone

InChI:

InChI=1S/C30H40N2O5/c1-4-7-11-28-29(26-22-24(32(34)35)14-17-27(26)37-28)30(33)23-12-15-25(16-13-23)36-21-10-20-31(18-8-5-2)19-9-6-3/h12-17,22H,4-11,18-21H2,1-3H3

InChI Key:

YIYARJKYRBMMJG-UHFFFAOYSA-N

SMILES:

CCCCN(CCCC)CCCOc1ccc(cc1)C(=O)c1c(CCCC)oc2c1cc(cc2)[N+](=O)[O-]

EC Number:

444-800-1

Complexity:

667

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

508.294g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

508.659g/mol

Monoisotopic Mass:

508.294g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

88.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

8.1