Chemical ID: 5885072

CCCCCN(CC(=O)Nc1cc(nn1c2ccccc2C)C(C)(C)C)C(=O)C=Cc3ccc(cc3)[N+](=O)[O-]
Chemical ID:
5885072
Name [?]:
3-(4-nitrophenyl)-N-[[2-(o-tolyl)-5-tert-butyl-pyrazol-3-yl]carbamoylmethyl]-N-pentyl-prop-2-enamide
SMILES [?]:
CCCCCN(CC(=O)Nc1cc(nn1c2ccccc2C)C(C)(C)C)C(=O)C=Cc3ccc(cc3)[N+](=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C30H37N5O4
All Atoms:39
Heavy Atoms:39
Chiral Atoms:0
ZAP Information [?]
Total:11.8531
Area:830.96
Solvation:-8.92093
Coulombic:-57.415
Bond Count [?]
All:41
Single:29
Double:12
Rotors:14
Chiral:1
Rigid Segments:11
Chemical Properties
Molecular Weight:531.646
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:6.02
LogP (Chemaxon):6.81

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Descriptor Annotations

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