N6-Methyl-N11-((2-oxoethyl)t-butoxy)-6,11-dihydro-5H-pyrido(2,3-b)(1,5)benzodiazepin-5-one

HCID 453259
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Basic information

CAS
132686-98-7
Standard SMILES
CN1C(=O)c2cccnc2N(CC(=O)OC(C)(C)C)c2ccccc21
InChIKey
NLYXSYJBSDBVBO-UHFFFAOYSA-N
Molecular formula
C19H21N3O3
Average molar mass
339.4 g/mol
Monoisotopic mass
339.15829154

Names & identifiers

Preferred name
N6-Methyl-N11-((2-oxoethyl)t-butoxy)-6,11-dihydro-5H-pyrido(2,3-b)(1,5)benzodiazepin-5-one
IUPAC
tert-butyl 2-(6-methyl-5-oxopyrido[3,2-c][1,5]benzodiazepin-11-yl)acetate

Names & synonyms

132686-98-7N6-Methyl-N11-((2-oxoethyl)t-butoxy)-6,11-dihydro-5H-pyrido(2,3-b)(1,5)benzodiazepin-5-oneN6-Methyl-N11-[(2-oxoethyl)t-butoxy]-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepin-5-oneCHEMBL412157SCHEMBL8789979DTXSID60157706NLYXSYJBSDBVBO-UHFFFAOYSA-Ntert-Butyl (6-methyl-5-oxo-5,6-dihydro-11H-pyrido[2,3-b][1,5]benzodiazepin-11-yl)acetatetert-butyl 2-(6-methyl-5-oxo-pyrido[3,2-c][1,5]benzodiazepin-11-yl)acetate5,6-Dihydro-11-(t-butoxycarbonyl)methyl-6-methyl-11H-pyrido[2,3-b][1,5]benzodiazepin-5-one

Database identifiers

CAS
132686-98-7
PubChem CID
453259
DTXSID
DTXSID60157706
ChEMBL
CHEMBL412157
Nikkaji
J420.505G

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
62.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
25

Related reactions

2 records
New reaction record

Compound notes

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