Name: Name:1-Piperidinecarboxylic acid, 4-(8-chloro-11-fluoro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl)-, ethyl ester
Brand: Angene
SKU: AG000OLR
Rating: 90 (10 reviews)

1-Piperidinecarboxylic acid, 4-(8-chloro-11-fluoro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl)-, ethyl ester

CAS No.:

125743-80-8

Catalog Number:

AG000OLR

Molecular Formula:

C22H24ClFN2O2

Molecular Weight:

402.8896

Catalog Number:

AG000OLR

Chemical Name:

1-Piperidinecarboxylic acid, 4-(8-chloro-11-fluoro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl)-, ethyl ester

CAS Number:

125743-80-8

Molecular Formula:

C22H24ClFN2O2

Molecular Weight:

402.8896

MDL Number:

MFCD00889812

IUPAC Name:

ethyl 4-(13-chloro-2-fluoro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)piperidine-1-carboxylate

InChI:

InChI=1S/C22H24ClFN2O2/c1-2-28-21(27)26-12-9-17(10-13-26)22(24)19-8-7-18(23)14-16(19)6-5-15-4-3-11-25-20(15)22/h3-4,7-8,11,14,17H,2,5-6,9-10,12-13H2,1H3

InChI Key:

OVPFJWGOZPZTKG-UHFFFAOYSA-N

SMILES:

CCOC(=O)N1CCC(CC1)C1(F)c2ccc(cc2CCc2c1nccc2)Cl

Complexity:

557

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

402.151g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

402.894g/mol

Monoisotopic Mass:

402.151g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

42.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.5