Chemical ID: 5876813

CCOc1ccc(cc1)n2c(=O)c3ccccc3nc2C(C)N(CCC(C)C)C(=O)c4ccc(cc4)Cl
Chemical ID:
5876813
Name [?]:
4-chloro-N-[1-[3-(4-ethoxyphenyl)-4-oxo-quinazolin-2-yl]ethyl]-N-isopentyl-benzamide
SMILES [?]:
CCOc1ccc(cc1)n2c(=O)c3ccccc3nc2C(C)N(CCC(C)C)C(=O)c4ccc(cc4)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C30H32ClN3O3
All Atoms:37
Heavy Atoms:37
Chiral Atoms:1
ZAP Information [?]
Total:14.4368
Area:735.701
Solvation:-3.95573
Coulombic:-51.0189
Bond Count [?]
All:40
Single:28
Double:12
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:518.046
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:7.02
LogP (Chemaxon):6.16

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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