 Home > Encyclopedia > 4-(3-chlorophenyl)-5-[4-(2-hydroxyethyl)piperazin-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-(2-hydroxyethyl)piperazin-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-(2-hydroxyethyl)piperazin-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:
844459-20-7
Formula:
C22H26ClN5O2S
Chemical Name:
4-(3-chlorophenyl)-5-[4-(2-hydroxyethyl)piperazin-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:
STK588515;ZINC20358023;AKOS005511456;MCULE-6540053479;3-(3-chlorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one;844459-20-7

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4-(3-chlorophenyl)-5-[4-(2-hydroxyethyl)piperazin-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：

460.0 g/mol

Exact Mass：

459.1495740 g/mol

Characteristics

PSA：

90.9 Å²

Computed Properties

Molecular Weight:460.0
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:459.1495740
Monoisotopic Mass:459.1495740
Topological Polar Surface Area:90.9
Heavy Atom Count:31
Complexity:703
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-(3-chlorophenyl)-5-[4-(2-hydroxyethyl)piperazin-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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