Chemical ID: 5877719

CCc1ccc(cc1)n2c(=O)c3ccccc3nc2C(CC)N(CC(C)C)C(=O)c4ccc(c(c4)[N+](=O)[O-])C
Chemical ID:
5877719
Name [?]:
N-[1-[3-(4-ethylphenyl)-4-oxo-quinazolin-2-yl]propyl]-N-isobutyl-4-methyl-3-nitro-benzamide
SMILES [?]:
CCc1ccc(cc1)n2c(=O)c3ccccc3nc2C(CC)N(CC(C)C)C(=O)c4ccc(c(c4)[N+](=O)[O-])C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C31H34N4O4
All Atoms:39
Heavy Atoms:39
Chiral Atoms:1
ZAP Information [?]
Total:10.2779
Area:727.415
Solvation:-7.90745
Coulombic:-55.0405
Bond Count [?]
All:42
Single:29
Double:13
Rotors:10
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:526.626
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:6.53
LogP (Chemaxon):6.98

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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