Name: Name:tert-Butyl 3-oxo-4-(2-oxo-2-(4-(trifluoromethyl)phenyl)ethyl)-1,4-diazepane-1-carboxylate
Brand: Angene
SKU: AG01EN36
Rating: 90 (10 reviews)

tert-Butyl 3-oxo-4-(2-oxo-2-(4-(trifluoromethyl)phenyl)ethyl)-1,4-diazepane-1-carboxylate

CAS No.:

1998216-12-8

Catalog Number:

AG01EN36

Molecular Formula:

C19H23F3N2O4

Molecular Weight:

400.3921

Catalog Number:

AG01EN36

Chemical Name:

tert-Butyl 3-oxo-4-(2-oxo-2-(4-(trifluoromethyl)phenyl)ethyl)-1,4-diazepane-1-carboxylate

CAS Number:

1998216-12-8

Molecular Formula:

C19H23F3N2O4

Molecular Weight:

400.3921

MDL Number:

MFCD30478725

IUPAC Name:

tert-butyl 3-oxo-4-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]-1,4-diazepane-1-carboxylate

InChI:

InChI=1S/C19H23F3N2O4/c1-18(2,3)28-17(27)24-10-4-9-23(16(26)12-24)11-15(25)13-5-7-14(8-6-13)19(20,21)22/h5-8H,4,9-12H2,1-3H3

InChI Key:

PQMIJJNQRXSNNK-UHFFFAOYSA-N

SMILES:

O=C1CN(CCCN1CC(=O)c1ccc(cc1)C(F)(F)F)C(=O)OC(C)(C)C

Complexity:

593

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

400.161g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

400.398g/mol

Monoisotopic Mass:

400.161g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

66.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.1