Name: Name:4-(piperidin-4-ylidene)-4H-benzo[4,5]cyclohepta[1,2-b]thiophen-10(9H)-one
Brand: Angene
SKU: AG01DJAE
Rating: 90 (10 reviews)

4-(piperidin-4-ylidene)-4H-benzo[4,5]cyclohepta[1,2-b]thiophen-10(9H)-one

CAS No.:

34580-20-6

Catalog Number:

AG01DJAE

Molecular Formula:

C18H17NOS

Molecular Weight:

295.3987

Catalog Number:

AG01DJAE

Chemical Name:

4-(piperidin-4-ylidene)-4H-benzo[4,5]cyclohepta[1,2-b]thiophen-10(9H)-one

CAS Number:

34580-20-6

Molecular Formula:

C18H17NOS

Molecular Weight:

295.3987

MDL Number:

MFCD00837295

IUPAC Name:

2-piperidin-4-ylidene-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-8-one

InChI:

InChI=1S/C18H17NOS/c20-16-11-13-3-1-2-4-14(13)17(12-5-8-19-9-6-12)15-7-10-21-18(15)16/h1-4,7,10,19H,5-6,8-9,11H2

InChI Key:

IYSYPCSSDZBWHN-UHFFFAOYSA-N

SMILES:

O=C1Cc2ccccc2C(=C2CCNCC2)c2c1scc2

UNII:

Z24BD2IFB3

Complexity:

450

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

295.103g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

295.4g/mol

Monoisotopic Mass:

295.103g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

57.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.8