Name: Name:2-[(4-cyclopropanecarbonylpiperazin-1-yl)methyl]-2,3-dihydro-1,2-benzothiazol-3-one
Brand: Angene
SKU: AG01BCFP
Rating: 90 (10 reviews)

2-[(4-cyclopropanecarbonylpiperazin-1-yl)methyl]-2,3-dihydro-1,2-benzothiazol-3-one

CAS No.:

877963-94-5

Catalog Number:

AG01BCFP

Molecular Formula:

C16H19N3O2S

Molecular Weight:

317.4060

Catalog Number:

AG01BCFP

Chemical Name:

2-[(4-cyclopropanecarbonylpiperazin-1-yl)methyl]-2,3-dihydro-1,2-benzothiazol-3-one

CAS Number:

877963-94-5

Molecular Formula:

C16H19N3O2S

Molecular Weight:

317.4060

MDL Number:

MFCD07849042

IUPAC Name:

2-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]-1,2-benzothiazol-3-one

InChI:

InChI=1S/C16H19N3O2S/c20-15(12-5-6-12)18-9-7-17(8-10-18)11-19-16(21)13-3-1-2-4-14(13)22-19/h1-4,12H,5-11H2

InChI Key:

YVBSNHLFRIVWFQ-UHFFFAOYSA-N

SMILES:

O=C(N1CCN(CC1)Cn1sc2c(c1=O)cccc2)C1CC1

Complexity:

460

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

317.12g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

317.407g/mol

Monoisotopic Mass:

317.12g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

69.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.3