Chemical ID: 4326281

CCOC(=O)CN1C(c2cc(ccc2NC1c3ccc(cc3)OC)Br)c4ccccc4
Chemical ID:
4326281
Name [?]:
ethyl 2-[6-bromo-2-(4-methoxyphenyl)-4-phenyl-2,4-dihydro-1H-quinazolin-3-yl]acetate
SMILES [?]:
CCOC(=O)CN1C(c2cc(ccc2NC1c3ccc(cc3)OC)Br)c4ccccc4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C25H25BrN2O3
All Atoms:31
Heavy Atoms:31
Chiral Atoms:3
ZAP Information [?]
Total:11.478
Area:617.003
Solvation:-3.94702
Coulombic:-46.7115
Bond Count [?]
All:34
Single:24
Double:10
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:481.382
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:5.57
LogP (Chemaxon):5.75

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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