Chemical ID: 4157377

CCCCn1cnc2c(c1=O)c(cs2)c3cccc(c3)[N+](=O)[O-]
Chemical ID:
4157377
Name [?]:
4-butyl-7-(3-nitrophenyl)-9-thia-2,4-diazabicyclo[4.3.0]nona-2,7,10-trien-5-one
SMILES [?]:
CCCCn1cnc2c(c1=O)c(cs2)c3cccc(c3)[N+](=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C16H15N3O3S
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:6.05752
Area:521.964
Solvation:-6.99158
Coulombic:-35.2934
Bond Count [?]
All:25
Single:17
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:329.375
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.17
LogP (Chemaxon):3.81

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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