 Home > Encyclopedia > 5-butylsulfanyl-3-(4-ethylpiperazin-1-yl)-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene

5-butylsulfanyl-3-(4-ethylpiperazin-1-yl)-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene

5-butylsulfanyl-3-(4-ethylpiperazin-1-yl)-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene structure

CAS No:
845992-00-9
Formula:
C21H32N4OS2
Chemical Name:
5-butylsulfanyl-3-(4-ethylpiperazin-1-yl)-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene
Synonyms:
ZINC2420238;STL343973;AKOS022107379;MCULE-5875097038;2-(butylsulfanyl)-4-(4-ethylpiperazin-1-yl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine;845992-00-9

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5-butylsulfanyl-3-(4-ethylpiperazin-1-yl)-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene Basic Attributes

Molecular Weight：

420.6 g/mol

Exact Mass：

420.20175400 g/mol

Characteristics

PSA：

95 Å²

Computed Properties

Molecular Weight:420.6
XLogP3:4.6
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:420.20175400
Monoisotopic Mass:420.20175400
Topological Polar Surface Area:95
Heavy Atom Count:28
Complexity:515
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-butylsulfanyl-3-(4-ethylpiperazin-1-yl)-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene

Basic Attributes
Characteristics
Computed Properties

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