Chemical ID: 4903089

CCCCOc1ccc(cc1OC)C2C3C(C(=O)N(C3=O)c4ccc(cc4)[N+](=O)[O-])ON2c5ccccc5
Chemical ID:
4903089
Name [?]:
8-(4-butoxy-3-methoxy-phenyl)-3-(4-nitrophenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione
SMILES [?]:
CCCCOc1ccc(cc1OC)C2C3C(C(=O)N(C3=O)c4ccc(cc4)[N+](=O)[O-])ON2c5ccccc5
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C28H27N3O7
All Atoms:38
Heavy Atoms:38
Chiral Atoms:4
ZAP Information [?]
Total:5.49654
Area:732.16
Solvation:-12.8075
Coulombic:-57.6028
Bond Count [?]
All:42
Single:30
Double:12
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:517.53
H-Bond Donors:0
H-Bond Acceptors:10
XLogP:3.96
LogP (Chemaxon):4.88

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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