 Home > Encyclopedia > 12-acetyl-4-amino-13-(2-chlorophenyl)-6,11-dimethyl-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene-5-carbonitrile

12-acetyl-4-amino-13-(2-chlorophenyl)-6,11-dimethyl-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene-5-carbonitrile

12-acetyl-4-amino-13-(2-chlorophenyl)-6,11-dimethyl-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene-5-carbonitrile structure

CAS No:
799806-63-6
Formula:
C21H15ClN4OS
Chemical Name:
12-acetyl-4-amino-13-(2-chlorophenyl)-6,11-dimethyl-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene-5-carbonitrile
Synonyms:
STL337743;ZINC20189087;AKOS022125092;MCULE-3044319404;799806-63-6;8-acetyl-2-amino-9-(2-chlorophenyl)-4,7-dimethylthieno[2,3-b:4,5-b']dipyridine-3-carbonitrile

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12-acetyl-4-amino-13-(2-chlorophenyl)-6,11-dimethyl-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene-5-carbonitrile Basic Attributes

Molecular Weight：

406.9 g/mol

Exact Mass：

406.0655100 g/mol

Characteristics

PSA：

121 Å²

XLogP3：

6.01938

Computed Properties

Molecular Weight:406.9
XLogP3:5.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:406.0655100
Monoisotopic Mass:406.0655100
Topological Polar Surface Area:121
Heavy Atom Count:28
Complexity:668
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 12-acetyl-4-amino-13-(2-chlorophenyl)-6,11-dimethyl-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene-5-carbonitrile

Basic Attributes
Characteristics
Computed Properties

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