Chemical ID: 6475045

CCOC(=O)C1=C(NC(=C(C1c2cccc(c2)[N+](=O)[O-])C(=O)OCCN3CCN(CC3)C)C)C
Chemical ID:
6475045
Name [?]:
ethyl 2-(4-methylpiperazin-1-yl)ethyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
SMILES [?]:
CCOC(=O)C1=C(NC(=C(C1c2cccc(c2)[N+](=O)[O-])C(=O)OCCN3CCN(CC3)C)C)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C24H32N4O6
All Atoms:34
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:7.71519
Area:632.4
Solvation:-8.0948
Coulombic:-71.3039
Bond Count [?]
All:36
Single:28
Double:8
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:472.534
H-Bond Donors:1
H-Bond Acceptors:10
XLogP:2.17
LogP (Chemaxon):0.37

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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