Name: Name:8-Tert-Butyl 6-Ethyl 6,7-Dihydro-5H-Imidazo[1,5-A][1,4]Diazepine-6,8(9H)-Dicarboxylate
Brand: Angene
SKU: AG00HSRA
Rating: 90 (10 reviews)

8-Tert-Butyl 6-Ethyl 6,7-Dihydro-5H-Imidazo[1,5-A][1,4]Diazepine-6,8(9H)-Dicarboxylate

CAS No.:

1330763-75-1

Catalog Number:

AG00HSRA

Molecular Formula:

C15H23N3O4

Molecular Weight:

309.3608

Catalog Number:

AG00HSRA

Chemical Name:

8-Tert-Butyl 6-Ethyl 6,7-Dihydro-5H-Imidazo[1,5-A][1,4]Diazepine-6,8(9H)-Dicarboxylate

CAS Number:

1330763-75-1

Molecular Formula:

C15H23N3O4

Molecular Weight:

309.3608

MDL Number:

MFCD20231191

IUPAC Name:

8-O-tert-butyl 6-O-ethyl 5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-6,8-dicarboxylate

InChI:

InChI=1S/C15H23N3O4/c1-5-21-13(19)11-7-17(14(20)22-15(2,3)4)9-12-6-16-10-18(12)8-11/h6,10-11H,5,7-9H2,1-4H3

InChI Key:

WLIXGQMIMFMQML-UHFFFAOYSA-N

SMILES:

CCOC(=O)C1CN(Cc2n(C1)cnc2)C(=O)OC(C)(C)C

Complexity:

422

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

309.169g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

309.366g/mol

Monoisotopic Mass:

309.169g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

73.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.7