Chemical ID: 4790469

Cc1c(cc2c(n1)[nH]c(n2)SCC(=O)Nc3ccc(cc3)N(C)C)Br
Chemical ID:
4790469
Name [?]:
2-[(3-bromo-4-methyl-5,7,9-triazabicyclo[4.3.0]nona-2,4,8,10-tetraen-8-yl)sulfanyl]-N-(4-dimethylaminophenyl)-acetamide
SMILES [?]:
Cc1c(cc2c(n1)[nH]c(n2)SCC(=O)Nc3ccc(cc3)N(C)C)Br
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C17H18BrN5OS
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:11.3796
Area:589.443
Solvation:-3.35651
Coulombic:-48.4266
Bond Count [?]
All:27
Single:19
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:420.328
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.34
LogP (Chemaxon):4.22

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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