Chemical ID: 5876764

CCCN(C(C)c1nc2ccccc2c(=O)n1c3ccccc3CC)C(=O)c4ccc(c(c4)[N+](=O)[O-])Cl
Chemical ID:
5876764
Name [?]:
4-chloro-N-[1-[3-(2-ethylphenyl)-4-oxo-quinazolin-2-yl]ethyl]-3-nitro-N-propyl-benzamide
SMILES [?]:
CCCN(C(C)c1nc2ccccc2c(=O)n1c3ccccc3CC)C(=O)c4ccc(c(c4)[N+](=O)[O-])Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C28H27ClN4O4
All Atoms:37
Heavy Atoms:37
Chiral Atoms:1
ZAP Information [?]
Total:8.79941
Area:700.127
Solvation:-8.70377
Coulombic:-52.8286
Bond Count [?]
All:40
Single:27
Double:13
Rotors:9
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:518.991
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:6.06
LogP (Chemaxon):6.16

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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