Name: Name:1-Piperidinecarboxylic acid, 4-(8-chloro-6,11-dihydro-11-hydroxy-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl)-, ethyl ester
Brand: Angene
SKU: AG0014JH
Rating: 90 (10 reviews)

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

CAS No.:

133284-74-9

Catalog Number:

AG0014JH

Molecular Formula:

C22H25ClN2O3

Molecular Weight:

400.8985

Catalog Number:

AG0014JH

Chemical Name:

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

CAS Number:

133284-74-9

Molecular Formula:

C22H25ClN2O3

Molecular Weight:

400.8985

MDL Number:

MFCD21363666

IUPAC Name:

ethyl 4-(13-chloro-2-hydroxy-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/C22H25ClN2O3/c1-2-28-21(26)25-12-9-17(10-13-25)22(27)19-8-7-18(23)14-16(19)6-5-15-4-3-11-24-20(15)22/h3-4,7-8,11,14,17,27H,2,5-6,9-10,12-13H2,1H3

InChI Key:

WVWGYTXDYNKXEY-UHFFFAOYSA-N

SMILES:

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

EC Number:

603-730-3

Complexity:

554

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

400.155g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

400.903g/mol

Monoisotopic Mass:

400.155g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

62.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.5