Chemical ID: 5562584

CCCCN(C)Cc1c(nc2n1ccs2)c3ccccc3
Chemical ID:
5562584
Name [?]:
N-methyl-N-[(7-phenyl-2-thia-5,8-diazabicyclo[3.3.0]octa-3,6,8-trien-6-yl)methyl]butan-1-amine
SMILES [?]:
CCCCN(C)Cc1c(nc2n1ccs2)c3ccccc3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C17H21N3S
All Atoms:21
Heavy Atoms:21
Chiral Atoms:1
ZAP Information [?]
Total:10.7424
Area:508.522
Solvation:-1.97067
Coulombic:-19.5864
Bond Count [?]
All:23
Single:17
Double:6
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:299.435
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:4.36
LogP (Chemaxon):3.93

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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