Name: Name:tert-butyl 4-[2-(1-benzothiophen-4-yl)-2,3-dihydro-1-benzothiophen-4-yl]piperazine-1-carboxylate
Brand: Angene
SKU: AG01EIJY
Rating: 90 (10 reviews)

tert-butyl 4-[2-(1-benzothiophen-4-yl)-2,3-dihydro-1-benzothiophen-4-yl]piperazine-1-carboxylate

CAS No.:

2138423-47-7

Catalog Number:

AG01EIJY

Molecular Formula:

C25H28N2O2S2

Molecular Weight:

452.6320

Catalog Number:

AG01EIJY

Chemical Name:

tert-butyl 4-[2-(1-benzothiophen-4-yl)-2,3-dihydro-1-benzothiophen-4-yl]piperazine-1-carboxylate

CAS Number:

2138423-47-7

Molecular Formula:

C25H28N2O2S2

Molecular Weight:

452.6320

MDL Number:

MFCD31435911

IUPAC Name:

tert-butyl 4-[2-(1-benzothiophen-4-yl)-2,3-dihydro-1-benzothiophen-4-yl]piperazine-1-carboxylate

InChI:

InChI=1S/C25H28N2O2S2/c1-25(2,3)29-24(28)27-13-11-26(12-14-27)20-7-5-9-22-19(20)16-23(31-22)17-6-4-8-21-18(17)10-15-30-21/h4-10,15,23H,11-14,16H2,1-3H3

InChI Key:

JKRIJPXWMPGCSN-UHFFFAOYSA-N

SMILES:

O=C(N1CCN(CC1)c1cccc2c1CC(S2)c1cccc2c1ccs2)OC(C)(C)C

Complexity:

646

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

452.159g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

452.631g/mol

Monoisotopic Mass:

452.159g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

86.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

5.8