Name: Name:N-(3-OXO-3-PYRROLIDIN-1-YLPROPYL)-5,6,7,8-TETRAHYDRO-4H-CYCLOHEPTA[B]THIO+
Brand: Angene
SKU: AG01ELPU
Rating: 90 (10 reviews)

N-(3-OXO-3-PYRROLIDIN-1-YLPROPYL)-5,6,7,8-TETRAHYDRO-4H-CYCLOHEPTA[B]THIO+

CAS No.:

1061503-78-3

Catalog Number:

AG01ELPU

Molecular Formula:

C17H24N2O2S

Molecular Weight:

320.4497

Catalog Number:

AG01ELPU

Chemical Name:

N-(3-OXO-3-PYRROLIDIN-1-YLPROPYL)-5,6,7,8-TETRAHYDRO-4H-CYCLOHEPTA[B]THIO+

CAS Number:

1061503-78-3

Molecular Formula:

C17H24N2O2S

Molecular Weight:

320.4497

MDL Number:

MFCD10928780

IUPAC Name:

N-(3-oxo-3-pyrrolidin-1-ylpropyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide

InChI:

InChI=1S/C17H24N2O2S/c20-16(19-10-4-5-11-19)8-9-18-17(21)15-12-13-6-2-1-3-7-14(13)22-15/h12H,1-11H2,(H,18,21)

InChI Key:

YAORNUOEAYJDAD-UHFFFAOYSA-N

SMILES:

O=C(N1CCCC1)CCNC(=O)c1cc2c(s1)CCCCC2

Complexity:

410

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

320.156g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

320.451g/mol

Monoisotopic Mass:

320.156g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

77.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.9