Name: Name:tert-Butyl 1-(2-chloropyridin-4-yl)-4,5-dihydro-1h-benzo[c]azepine-2(3h)-carboxylate
Brand: Angene
SKU: AG00HX44
Rating: 90 (10 reviews)

tert-Butyl 1-(2-chloropyridin-4-yl)-4,5-dihydro-1h-benzo[c]azepine-2(3h)-carboxylate

CAS No.:

1445951-02-9

Catalog Number:

AG00HX44

Molecular Formula:

C20H23ClN2O2

Molecular Weight:

358.8618

Catalog Number:

AG00HX44

Chemical Name:

tert-Butyl 1-(2-chloropyridin-4-yl)-4,5-dihydro-1h-benzo[c]azepine-2(3h)-carboxylate

CAS Number:

1445951-02-9

Molecular Formula:

C20H23ClN2O2

Molecular Weight:

358.8618

MDL Number:

MFCD25509367

IUPAC Name:

tert-butyl 1-(2-chloropyridin-4-yl)-1,3,4,5-tetrahydro-2-benzazepine-2-carboxylate

InChI:

InChI=1S/C20H23ClN2O2/c1-20(2,3)25-19(24)23-12-6-8-14-7-4-5-9-16(14)18(23)15-10-11-22-17(21)13-15/h4-5,7,9-11,13,18H,6,8,12H2,1-3H3

InChI Key:

HJWPTFMPFCRBNZ-UHFFFAOYSA-N

SMILES:

Clc1nccc(c1)C1N(CCCc2c1cccc2)C(=O)OC(C)(C)C

Complexity:

465

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

358.145g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

358.866g/mol

Monoisotopic Mass:

358.145g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

42.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.6