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6H-Pyrido(2,3-b)(1,4)benzodiazepin-6-one,5,11-dihydro-11-(1H-imidazol-1-ylacetyl)-,hydrate

6H-Pyrido(2,3-b)(1,4)benzodiazepin-6-one,5,11-dihydro-11-(1H-imidazol-1-ylacetyl)-,hydrate structure

CAS No:
79276-54-3
Formula:
C17H13N5O2
Chemical Name:
6H-Pyrido(2,3-b)(1,4)benzodiazepin-6-one,5,11-dihydro-11-(1H-imidazol-1-ylacetyl)-,hydrate
Synonyms:
6H-Pyrido(2,3-b)(1,4)benzodiazepin-6-one, 5,11-dihydro-11-(1H-imidazol -1-ylacetyl)-, hydrate;6H-Pyrido[2,3-b][1,4]benzodiazepin-6-one, 5,11-dihydro-11-[2-(1H-imidazol-1-yl)acetyl]-

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6H-Pyrido(2,3-b)(1,4)benzodiazepin-6-one,5,11-dihydro-11-(1H-imidazol-1-ylacetyl)-,hydrate Basic Attributes

Molecular Weight：

319.32

Exact Mass：

319.10692467

DSSTox ID：

DTXSID20229599

Characteristics

PSA：

83.61000

XLogP3：

2.09330

Density：

1.43±0.1 g/cm3

Melting Point：

248-250 °C

Boiling Point：

602.3±50.0 °C(Predicted)

Flash Point：

318.1ºC

Refractive Index：

1.737

PKA：

11.20±0.20

Computed Properties

Molecular Weight:319.32
XLogP3:0.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:319.10692467
Monoisotopic Mass:319.10692467
Topological Polar Surface Area:80.1
Heavy Atom Count:24
Complexity:499
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 6H-Pyrido(2,3-b)(1,4)benzodiazepin-6-one,5,11-dihydro-11-(1H-imidazol-1-ylacetyl)-,hydrate

Basic Attributes
Characteristics
Computed Properties

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