 Home > Encyclopedia > 5-[(4-chlorophenyl)methylsulfanyl]-7-ethyl-14,14-dimethyl-13-oxa-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene

5-[(4-chlorophenyl)methylsulfanyl]-7-ethyl-14,14-dimethyl-13-oxa-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene

5-[(4-chlorophenyl)methylsulfanyl]-7-ethyl-14,14-dimethyl-13-oxa-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene structure

CAS No:
799801-89-1
Formula:
C21H21ClN4OS2
Chemical Name:
5-[(4-chlorophenyl)methylsulfanyl]-7-ethyl-14,14-dimethyl-13-oxa-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene
Synonyms:
ZINC2224319;STK553107;AKOS005480314;MCULE-6438480163;3-[(4-chlorobenzyl)sulfanyl]-5-ethyl-10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine;799801-89-1

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5-[(4-chlorophenyl)methylsulfanyl]-7-ethyl-14,14-dimethyl-13-oxa-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene Basic Attributes

Molecular Weight：

445.0 g/mol

Exact Mass：

444.0845313 g/mol

Characteristics

PSA：

106 Å²

Computed Properties

Molecular Weight:445.0
XLogP3:6
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:444.0845313
Monoisotopic Mass:444.0845313
Topological Polar Surface Area:106
Heavy Atom Count:29
Complexity:591
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-[(4-chlorophenyl)methylsulfanyl]-7-ethyl-14,14-dimethyl-13-oxa-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene

Basic Attributes
Characteristics
Computed Properties

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