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2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-3-(3-chlorophenyl)-5H-pyrimido[5,4-b]indol-4-one

2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-3-(3-chlorophenyl)-5H-pyrimido[5,4-b]indol-4-one structure

CAS No:
536712-44-4
Formula:
C24H23ClN4O2S
Chemical Name:
2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-3-(3-chlorophenyl)-5H-pyrimido[5,4-b]indol-4-one
Synonyms:
536712-44-4;2-((2-(azepan-1-yl)-2-oxoethyl)thio)-3-(3-chlorophenyl)-3H-pyrimido[5,4-b]indol-4(5H)-one;2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-(3-chlorophenyl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one;ChemDiv3_007845;Oprea1_212104;HMS1495E13;ZINC2720894;AKOS002052706;MCULE-5225548625;2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-3-(3-chlorophenyl)-5H-pyrimido[5,4-b]indol-4-one;IDI1_025755;BRD-K59100014-001-01-5;F0580-0755;2-[(2-azepan-1-yl-2-oxoethyl)thio]-3-(3-chlorophenyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one

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2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-3-(3-chlorophenyl)-5H-pyrimido[5,4-b]indol-4-one Basic Attributes

Molecular Weight：

467.0 g/mol

Exact Mass：

466.1230249 g/mol

Characteristics

PSA：

94.1 Å²

Computed Properties

Molecular Weight:467.0
XLogP3:5.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:466.1230249
Monoisotopic Mass:466.1230249
Topological Polar Surface Area:94.1
Heavy Atom Count:32
Complexity:742
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-3-(3-chlorophenyl)-5H-pyrimido[5,4-b]indol-4-one

Basic Attributes
Characteristics
Computed Properties

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