Home Carboxys tert-butyl 2-oxo-2,3-dihydro-1H-benzo[e][1,4]diazepine-4(5H)-carboxylate

tert-butyl 2-oxo-2,3-dihydro-1H-benzo[e][1,4]diazepine-4(5H)-carboxylate

CAS No.:
179686-66-9
Catalog Number:
AG00AT6K
Molecular Formula:
C14H18N2O3
Molecular Weight:
262.3043
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Product Description
Catalog Number:
AG00AT6K
Chemical Name:
tert-butyl 2-oxo-2,3-dihydro-1H-benzo[e][1,4]diazepine-4(5H)-carboxylate
CAS Number:
179686-66-9
Molecular Formula:
C14H18N2O3
Molecular Weight:
262.3043
MDL Number:
MFCD21222599
IUPAC Name:
tert-butyl 2-oxo-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxylate
InChI:
InChI=1S/C14H18N2O3/c1-14(2,3)19-13(18)16-8-10-6-4-5-7-11(10)15-12(17)9-16/h4-7H,8-9H2,1-3H3,(H,15,17)
InChI Key:
JWEGFNFVTHGYLT-UHFFFAOYSA-N
SMILES:
O=C1CN(Cc2c(N1)cccc2)C(=O)OC(C)(C)C
Properties
Complexity:
362  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.132g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
262.309g/mol
Monoisotopic Mass:
262.132g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties