Chemical ID: 3963971

CC1=C(C(C(=C(N1)C)C(=O)OCCCN2CCC(CC2)(c3ccccc3)c4ccccc4)c5cccc(c5)[N+](=O)[O-])C(=O)OC
Chemical ID:
3963971
Name [?]:
3-(4,4-diphenyl-1-piperidyl)propyl methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
SMILES [?]:
CC1=C(C(C(=C(N1)C)C(=O)OCCCN2CCC(CC2)(c3ccccc3)c4ccccc4)c5cccc(c5)[N+](=O)[O-])C(=O)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C36H39N3O6
All Atoms:45
Heavy Atoms:45
Chiral Atoms:1
ZAP Information [?]
Total:12.6258
Area:864.47
Solvation:-8.98594
Coulombic:-70.3288
Bond Count [?]
All:49
Single:35
Double:14
Rotors:12
Chiral:0
Rigid Segments:11
Chemical Properties
Molecular Weight:609.711
H-Bond Donors:1
H-Bond Acceptors:9
XLogP:6.61
LogP (Chemaxon):4.48

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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