 Home > Encyclopedia > 4-(3-chlorophenyl)-5-(4-ethylpiperazin-1-yl)-11-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one

4-(3-chlorophenyl)-5-(4-ethylpiperazin-1-yl)-11-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one

4-(3-chlorophenyl)-5-(4-ethylpiperazin-1-yl)-11-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one structure

CAS No:
846594-37-4
Formula:
C22H26ClN5OS
Chemical Name:
4-(3-chlorophenyl)-5-(4-ethylpiperazin-1-yl)-11-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
Synonyms:
ZINC2404373;STK589402;AKOS005511560;MCULE-8174215350;3-(3-chlorophenyl)-2-(4-ethylpiperazin-1-yl)-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one;846594-37-4

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4-(3-chlorophenyl)-5-(4-ethylpiperazin-1-yl)-11-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one Basic Attributes

Molecular Weight：

444.0 g/mol

Exact Mass：

443.1546593 g/mol

Characteristics

PSA：

70.6 Å²

Computed Properties

Molecular Weight:444.0
XLogP3:3.2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:443.1546593
Monoisotopic Mass:443.1546593
Topological Polar Surface Area:70.6
Heavy Atom Count:30
Complexity:684
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-(3-chlorophenyl)-5-(4-ethylpiperazin-1-yl)-11-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one

Basic Attributes
Characteristics
Computed Properties

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