Name: Name:(S)-tert-Butyl 3-methyl-4-((2-nitrophenyl)sulfonyl)-1,4-diazepane-1-carboxylate
Brand: Angene
SKU: AG01EMZL
Rating: 90 (10 reviews)

(S)-tert-Butyl 3-methyl-4-((2-nitrophenyl)sulfonyl)-1,4-diazepane-1-carboxylate

CAS No.:

949109-36-8

Catalog Number:

AG01EMZL

Molecular Formula:

Molecular Weight:

Catalog Number:

AG01EMZL

Chemical Name:

(S)-tert-Butyl 3-methyl-4-((2-nitrophenyl)sulfonyl)-1,4-diazepane-1-carboxylate

CAS Number:

949109-36-8

IUPAC Name:

tert-butyl (3S)-3-methyl-4-(2-nitrophenyl)sulfonyl-1,4-diazepane-1-carboxylate

InChI:

InChI=1S/C17H25N3O6S/c1-13-12-18(16(21)26-17(2,3)4)10-7-11-19(13)27(24,25)15-9-6-5-8-14(15)20(22)23/h5-6,8-9,13H,7,10-12H2,1-4H3/t13-/m0/s1

InChI Key:

ZIFXYEQQDVXSEN-ZDUSSCGKSA-N

Complexity:

649

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

399.146g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

399.462g/mol

Monoisotopic Mass:

399.146g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

121A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3