Chemical ID: 4946826

CC1=C(C(C(=C(N1)C)C(=O)OC(C)C)c2cccc(c2)[N+](=O)[O-])C(=O)OCCc3ccc(cc3)[N+](=O)[O-]
Chemical ID:
4946826
Name [?]:
isopropyl 2-(4-nitrophenyl)ethyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
SMILES [?]:
CC1=C(C(C(=C(N1)C)C(=O)OC(C)C)c2cccc(c2)[N+](=O)[O-])C(=O)OCCc3ccc(cc3)[N+](=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C26H27N3O8
All Atoms:37
Heavy Atoms:37
Chiral Atoms:1
ZAP Information [?]
Total:4.783
Area:723.53
Solvation:-13.3052
Coulombic:-74.8496
Bond Count [?]
All:39
Single:27
Double:12
Rotors:11
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:509.508
H-Bond Donors:1
H-Bond Acceptors:11
XLogP:4.77
LogP (Chemaxon):2.98

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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