Chemical ID: 5416752

CC(C)c1ccc(cc1)n2c(=O)c3ccccc3nc2SCc4cc(cc5c4OCOC5)[N+](=O)[O-]
Chemical ID:
5416752
Name [?]:
3-(4-isopropylphenyl)-2-[(9-nitro-3,5-dioxabicyclo[4.4.0]deca-6,8,10-trien-7-yl)methylsulfanyl]quinazolin-4-one
SMILES [?]:
CC(C)c1ccc(cc1)n2c(=O)c3ccccc3nc2SCc4cc(cc5c4OCOC5)[N+](=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C26H23N3O5S
All Atoms:35
Heavy Atoms:35
Chiral Atoms:0
ZAP Information [?]
Total:7.83663
Area:713.4
Solvation:-9.99837
Coulombic:-51.6426
Bond Count [?]
All:39
Single:27
Double:12
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:489.544
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:5.33
LogP (Chemaxon):6.36

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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