 Home > Encyclopedia > (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis(1H-indazol-5-ylmethyl)-1,3-diazepan-2-one

(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis(1H-indazol-5-ylmethyl)-1,3-diazepan-2-one

(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis(1H-indazol-5-ylmethyl)-1,3-diazepan-2-one structure

CAS No:
167825-84-5
Formula:
C35H34N6O3
Chemical Name:
(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis(1H-indazol-5-ylmethyl)-1,3-diazepan-2-one
Synonyms:
(5S,6S,4R,7R)-1,3-Bis((1H-indazol-5-yl)methyl)-4,7-dibenzyl-5,6-dihydroxy-1,3-diazepin-2-one;

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(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis(1H-indazol-5-ylmethyl)-1,3-diazepan-2-one Basic Attributes

Molecular Weight：

586.68300

Exact Mass：

586.26923897 g/mol

DSSTox ID：

DTXSID00168391

Characteristics

PSA：

121.37000

XLogP3：

4.69720

Density：

1.392g/cm3

Boiling Point：

868.9ºC

Flash Point：

479.3ºC

Refractive Index：

1.745

Vapor Pressure：

3.05E-32mmHg at 25°C

Computed Properties

Molecular Weight:586.7
XLogP3:4.6
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:8
Exact Mass:586.26923897
Monoisotopic Mass:586.26923897
Topological Polar Surface Area:121
Heavy Atom Count:44
Complexity:871
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis(1H-indazol-5-ylmethyl)-1,3-diazepan-2-one

Basic Attributes
Characteristics
Computed Properties

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