 Home > Encyclopedia > 13-[(4-nitrophenyl)methylsulfanyl]-8-propan-2-yl-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaene

13-[(4-nitrophenyl)methylsulfanyl]-8-propan-2-yl-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaene

13-[(4-nitrophenyl)methylsulfanyl]-8-propan-2-yl-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaene structure

CAS No:
577962-43-7
Formula:
C23H22N4O2S2
Chemical Name:
13-[(4-nitrophenyl)methylsulfanyl]-8-propan-2-yl-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaene
Synonyms:
ZINC2385118;STK557929;AKOS005483802;MCULE-5188806789;577962-43-7;8-[(4-nitrobenzyl)sulfanyl]-5-(propan-2-yl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline

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13-[(4-nitrophenyl)methylsulfanyl]-8-propan-2-yl-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaene Basic Attributes

Molecular Weight：

450.6 g/mol

Exact Mass：

450.11841830 g/mol

Characteristics

PSA：

138 Å²

Computed Properties

Molecular Weight:450.6
XLogP3:6.6
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:4
Exact Mass:450.11841830
Monoisotopic Mass:450.11841830
Topological Polar Surface Area:138
Heavy Atom Count:31
Complexity:640
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 13-[(4-nitrophenyl)methylsulfanyl]-8-propan-2-yl-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaene

Basic Attributes
Characteristics
Computed Properties

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