Name: Name:2-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-3-phenyl-3,4-dihydroquinazolin-4-one
Brand: Angene
SKU: AG01DWBR
Rating: 90 (10 reviews)

2-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-3-phenyl-3,4-dihydroquinazolin-4-one

CAS No.:

312522-38-6

Catalog Number:

AG01DWBR

Molecular Formula:

C21H21N3O2S

Molecular Weight:

379.4753

Catalog Number:

AG01DWBR

Chemical Name:

2-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-3-phenyl-3,4-dihydroquinazolin-4-one

CAS Number:

312522-38-6

Molecular Formula:

C21H21N3O2S

Molecular Weight:

379.4753

MDL Number:

MFCD01418291

IUPAC Name:

2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3-phenylquinazolin-4-one

InChI:

InChI=1S/C21H21N3O2S/c25-19(23-13-7-2-8-14-23)15-27-21-22-18-12-6-5-11-17(18)20(26)24(21)16-9-3-1-4-10-16/h1,3-6,9-12H,2,7-8,13-15H2

InChI Key:

IXGUBPVWHLQGIE-UHFFFAOYSA-N

SMILES:

O=C(N1CCCCC1)CSc1nc2ccccc2c(=O)n1c1ccccc1

Complexity:

582

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

379.135g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

379.478g/mol

Monoisotopic Mass:

379.135g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

78.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.8