 Home > Encyclopedia > 4-(3-chlorophenyl)-5-(2-hydroxyethylamino)-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-(2-hydroxyethylamino)-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-(2-hydroxyethylamino)-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:
843635-72-3
Formula:
C18H19ClN4O2S
Chemical Name:
4-(3-chlorophenyl)-5-(2-hydroxyethylamino)-11-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
Synonyms:
MLS001214374;CHEMBL1453611;HMS2872J04;STK577490;ZINC20357492;AKOS005501722;MCULE-5177603787;SMR000543742;3-(3-chlorophenyl)-2-[(2-hydroxyethyl)amino]-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one;843635-72-3

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4-(3-chlorophenyl)-5-(2-hydroxyethylamino)-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：

390.9 g/mol

Exact Mass：

390.0917247 g/mol

Characteristics

PSA：

96.4 Å²

Water Solubility：

58.3 [ug/mL]

Computed Properties

Molecular Weight:390.9
XLogP3:2.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:390.0917247
Monoisotopic Mass:390.0917247
Topological Polar Surface Area:96.4
Heavy Atom Count:26
Complexity:577
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-(3-chlorophenyl)-5-(2-hydroxyethylamino)-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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