Name: Name:4-(2,3-dihydro-1H-indole-1-carbonyl)-1-[3-(methylsulfanyl)phenyl]pyrrolidin-2-one
Brand: Angene
SKU: AG01BA8U
Rating: 90 (10 reviews)

4-(2,3-dihydro-1H-indole-1-carbonyl)-1-[3-(methylsulfanyl)phenyl]pyrrolidin-2-one

CAS No.:

1090029-95-0

Catalog Number:

AG01BA8U

Molecular Formula:

C20H20N2O2S

Molecular Weight:

352.4500

Catalog Number:

AG01BA8U

Chemical Name:

4-(2,3-dihydro-1H-indole-1-carbonyl)-1-[3-(methylsulfanyl)phenyl]pyrrolidin-2-one

CAS Number:

1090029-95-0

Molecular Formula:

C20H20N2O2S

Molecular Weight:

352.4500

MDL Number:

MFCD11723525

IUPAC Name:

4-(2,3-dihydroindole-1-carbonyl)-1-(3-methylsulfanylphenyl)pyrrolidin-2-one

InChI:

InChI=1S/C20H20N2O2S/c1-25-17-7-4-6-16(12-17)22-13-15(11-19(22)23)20(24)21-10-9-14-5-2-3-8-18(14)21/h2-8,12,15H,9-11,13H2,1H3

InChI Key:

XCGUCBXFHDMFPE-UHFFFAOYSA-N

SMILES:

CSc1cccc(c1)N1CC(CC1=O)C(=O)N1CCc2c1cccc2

Complexity:

526

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

352.125g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

352.452g/mol

Monoisotopic Mass:

352.125g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

65.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.6