Name: Name:8-tert-butyl 3-ethyl 4-oxo-5,6,6a,7,9,9a-hexahydroimidazo[1,5-a]pyrrolo[3,4-f][1,4]diazepine-3,8(4H)-dicarboxylate
Brand: Angene
SKU: AG01DFU5
Rating: 90 (10 reviews)

8-tert-butyl 3-ethyl 4-oxo-5,6,6a,7,9,9a-hexahydroimidazo[1,5-a]pyrrolo[3,4-f][1,4]diazepine-3,8(4H)-dicarboxylate

CAS No.:

1290626-84-4

Catalog Number:

AG01DFU5

Molecular Formula:

C17H24N4O5

Molecular Weight:

364.3963

Catalog Number:

AG01DFU5

Chemical Name:

8-tert-butyl 3-ethyl 4-oxo-5,6,6a,7,9,9a-hexahydroimidazo[1,5-a]pyrrolo[3,4-f][1,4]diazepine-3,8(4H)-dicarboxylate

CAS Number:

1290626-84-4

Molecular Formula:

C17H24N4O5

Molecular Weight:

364.3963

MDL Number:

MFCD19442337

IUPAC Name:

4-O-tert-butyl 11-O-ethyl 9-oxo-1,4,8,12-tetrazatricyclo[8.3.0.02,6]trideca-10,12-diene-4,11-dicarboxylate

InChI:

InChI=1S/C17H24N4O5/c1-5-25-15(23)12-13-14(22)18-6-10-7-20(16(24)26-17(2,3)4)8-11(10)21(13)9-19-12/h9-11H,5-8H2,1-4H3,(H,18,22)

InChI Key:

LGDQOEPVCUQEKT-UHFFFAOYSA-N

SMILES:

CCOC(=O)c1ncn2c1C(=O)NCC1C2CN(C1)C(=O)OC(C)(C)C

Complexity:

590

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

364.175g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

364.402g/mol

Monoisotopic Mass:

364.175g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

103A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.8